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  • Mallet News
    the printer one for traditional Libraries copy cards and the other for your Bevo Bucks student ID Printing cost is the same either way 10 cents per single sided page 8 28 15 More Computer Workstations Installed Twenty additional PC workstations from the former WEL Computer Lab have been installed in the Chemistry Library for student use bringing the total number of machines in the library to 32 All of these stations are on the Libraries EID network and offer the following scientific software packages ChemBioOffice including ChemDraw Ultra MATLAB Mathematica Logger Pro Avogadro 8 17 15 Welch Hall Construction The West half of the 1929 north wing of Welch Hall is under renovation Access to the Mallet Library during the construction is from the east south wing only Speedway side Doors into WEL from 24th Street and the alleyway between WEL and PAI are closed for the duration as are the 1929 wing restrooms and elevator Construction noise may be audible in the library from time to time The library will be open normal hours throughout the project which will be completed by fall 2016 6 15 15 The basics of crystallography and diffraction 4th ed QD 905 2 H355 2015 Stacks Handbook of surface and colloid chemistry 4th ed QD 508 H36 2016 Stacks Hybrid retrosynthesis organic synthesis using Reaxys and SciFinder QD 262 D36 2015 Stacks Hydrogen production by electrolysis TP 359 H8 H936 2015 Stacks Organic stereochemistry experimental and computational methods QD 481 Z48 2015 Stacks Electrochemistry of metal complexes QD 553 S87 2015 Stacks The Matter factory a history of the chemistry laboratory QD 51 M68 2015 Stacks Graphene fundamentals devices and applications QD 181 C1 S53 2015 Stacks Reactions and syntheses in the organic chemistry laboratory 2nd ed QD 262 T52513 2015 Stacks Single

    Original URL path: http://www.lib.utexas.edu/chem/new.html (2016-02-17)
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  • Recent Arrivals - University of Texas Libraries
    Newari Norwegian Oriya Pali Panjabi Persian Polish Prakrit Pushto Quechua Rajasthani Romance Romanian Sanskrit Scottish Gaelic Serbo Croatian Cyrillic Serbo Croatian Roman Sindhi Sinhalese Slovak Slovenian South American Indian Swahili Swedish Tamil Telugu Turkish Turkish Ottoman Ukranian Urdu Welsh Yiddish Sort by Date Added Title Monitoring of air pollutants sampling sample preparation and analytical techniques Chemistry Library Books Printed Materials English 2015 Added 01 25 2016 Chemistry at home exploring the ingredients in everyday products Emsley John author Chemistry Library Books Printed Materials English Cambridge Royal Society of Chemistry 2015 Added 01 20 2016 Inorganic chemistry Chemistry Library Books Printed Materials English 2014 Added 01 14 2016 Physicians desk reference PDR Chemistry Library Books Printed Materials English Montvale NJ PDR Network Added 01 14 2016 Physicians desk reference PDR Chemistry Library Books Printed Materials English Montvale NJ PDR Network Added 01 14 2016 Über die Reinigung der Verdunstungsrückstände der Äther und Chloroform Auszüge bei dem forensischen Nachweis der Alkaloide Cardoso Pereira A author Chemistry Library Books Printed Materials German Cöthen Anhalt Verlag der Chemiker Zeitung Otto v Halem 1915 Added 01 12 2016 Practical surface analysis Chemistry Library Books Printed Materials English Chichester New York Wiley Aarau Salle Sauerländer 1990 1992 Added 01 05 2016 Physical chemistry of semiconductor materials and processes Pizzini Sergio author Chemistry Library Books Printed Materials English 2015 Added 01 04 2016 Quality management essential planning for breweries Pellettieri Mary 1968 Chemistry Library Books Printed Materials English Boulder Colorado Brewers Publications a division of the Brewers Association 2015 Added 01 04 2016 Petroleum and gas field processing Abdel Aal Hussein K author Chemistry Library Books Printed Materials English Boca Raton CRC Press 2016 Added 12 11 2015 Pumps channels and transporters methods of functional analysis Chemistry Library Books Printed Materials English Hoboken New Jersey John Wiley

    Original URL path: http://www.lib.utexas.edu/recentarrivals/recent_arrivals.php?location=ch (2016-02-17)
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  • About the Chemistry Library
    Plan Library Hours Campus Library Map History of the Mallet Library Support the Chemistry Library About the Chemistry Library The Mallet Chemistry Library is a unit of the University of Texas Libraries serving the chemical research needs of the University of Texas at Austin particularly for the students faculty and staff of the Dept of Chemistry the Biochemistry Division of the Dept of Molecular Biosciences and the Dept of Chemical Engineering Our digital library includes access to CAS SciFinder Reaxys the CRC Handbook the Kirk Othmer Encyclopedia and hundreds of electronic journals in the chemical sciences including those from the American Chemical Society and the Royal Society of Chemistry plus their archives The Chemistry Library s print collection totals over 100 000 volumes covering all aspects of chemistry biochemistry chemical engineering and food technology The Library s strong historical journal collection includes over 1 100 titles as far back as 1789 The library holds a complete archive of Chemical Abstracts from 1907 to 2001 as well as major works such as the Beilstein Handbook the Gmelin Handbook Landolt Börnstein Houben Weyl and the Sadtler Standard Spectra All materials in the collection including those in storage are represented in the Library Catalog Location and Services The Library is located on the ground floor of the north wing of Welch Hall on the southwest corner of 24th Street and Speedway Blvd If you re driving to campus consult the UT parking maps for details The library is open to the general public a valid UT ID or Courtesy Borrower Card is required to check out materials Reserves books are available for short loan at the Circulation Desk Reference assistance and consultation is usually available in person or by phone weekdays 9am 5pm as well as via electronic mail We provide EID login

    Original URL path: http://www.lib.utexas.edu/chem/about.html (2016-02-17)
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  • History of the Chemistry Library
    hundreds of books Austin Statesman October 16 1926 Practically the only things saved of any value were the books from the library most of which were taken out by firemen who took advantage of every opportunity to enter the building until they had removed most of them Practically all the books were taken out water soaked as it was found necessary to play the hose on them from time to time to keep them from scorching and burning They were removed and placed in a vacant room in H Hall which had been cleaned out preparatory to the removal of the shacks and are being dried in heated ovens Daily Texan October 17 1926 Evolution 1927 1950 The library was relocated to temporary quarters on the third floor of the new Biology Building while a new chemistry building was constructed This location was not ideal in many respects as Lochte noted in his 1928 annual report T he Biology Building is closed at night and no plan of opening at night can be worked out Among advanced and graduate students in chemistry library work should be done at night because their day light hours are taken up with laboratory work We now have to reverse this order or omit library work He also noted that the library s distance from laboratories and offices which were now scattered in shacks around campus caused library usage to drop off significantly Repairs and replacements of books damaged or lost in the fire were largely completed by 1929 By the 1920s departmental library collections at the University had been expanding out of control and card catalogs and circulation files were not being properly maintained Statistics on book holdings and use were not kept and book losses were a growing problem Services and hours were erratic There was a clear need for closer supervision and oversight of the myriad branches 4 During this period the University Library under new head librarian Ernest Winkler attempted without much success to exercise more control over the established departmental libraries scattered across the campus There were as many as 23 separate library collections and units on campus by 1922 a situation reinforced by lack of adequate facilities for a central library Staffing and hours did become more formalized in time But the chemistry faculty strongly resisted an attempt to take away their library keys so the Chemistry Library remained the only branch where non library staff had access to the facility after hours Collection growth was not slowed by the fire New journals continued to be added including Journal de chimie physique Gas und Wasserfach and Biochemische Zeitschrift In 1928 a survey of chemical journal holdings in land grant colleges published by the U S Office of Education ranked UT s library 11th in the nation 5 A 1930 issue of the Journal of Chemical Education dedicated to Chemical Progress in the South showed UT at or near the top in most categories including student body size funding and laboratory buildings A comparison of chemistry library holdings ranked UT at or near the top in number of current subscriptions complete back files and books 6 Chemistry Building 1943 In 1931 after five years in temporary quarters the Chemistry Library moved into its new home on the second floor of the new Chemistry Building today known as Welch Hall 7 The Pharmacy Library moved in with it at this time but was shelved separately from the chemistry collection causing considerable confusion and misshelving in the ensuing years The new facility had a seating capacity of 48 and was kept open on weekday evenings from 7 to 10 PM with the cooperation of 29 chemistry assistants and tutors although hours and staffing varied from term to term Around the time of the move the library was named for Dr Mallet UT s first chemistry professor 8 Wall plaque in Old Library Stained glass window in Old Library Door Reference desk ca 1930s Alice Wupperman supervised the Chemistry Pharmacy Library from 1929 to 1940 9 When she left to attend library school at Columbia University in 1940 Thelma Lynn the new geology librarian was drafted to oversee the Chemistry Library during the 1940 41 school year Lynn was not impressed with the state of the library and spent the year directing a major reorganization effort 10 The war years were a period of great turmoil and turnover for the entire campus and clerical workers came and went frequently during this period The library was overseen by part time and largely temporary staff until Martha Thurlow took charge in 1944 Thurlow later took a leave of absence to attend library school at Columbia University and returned in 1947 as the first professional librarian employed in the Chemistry Library The position also became full time at this point Thurlow departed in 1949 and was succeeded by Ivan Trombley 1949 51 The postwar period was marked by difficulty in restoring subscriptions to and filling gaps in foreign periodicals many of which were interrupted during the war and its aftermath War related shortages of equipment and supplies also plagued the library throughout the decade Left to right Alice Wupperman 1929 40 Martha Thurlow 1944 49 Ivan Trombley 1949 51 Stability 1951 1978 In 1951 East Texas native Aubrey Skinner assumed the position of Mallet Librarian He observed laconically in an early memo Library open 61 hours a week Space a problem need a useable typewriter Skinner perservered to face the challenges and over the course of a 34 year career became indelibly associated with the Mallet Library and well known in Texas for his interests and writings in local and library history He served in this capacity until his death at the age of 57 in July 1985 Aubrey Skinner Mallet Librarian 1951 85 The 1950s and 60s were years of considerable stability for the library The Pharmacy Library moved out in 1952 but the collection continued to grow rapidly surpassing 25 000 volumes in 1965 This growth reflected the overall explosion of the scientific literature in the postwar decades despite a perennially tight library budget for books and journals But the overall nature of libraries and library services changed little until the advent of photocopy machines in the 1960s and electronic databases in the 1970s The primary challenges for the Chemistry Library during this period were a chronic lack of space and staff Both shelf and study space were very cramped In the 1940s the Chemistry Library had become the site for nutrition materials 11 After the war the branch had also become the depository site for a rapidly growing collection of Atomic Energy Commission AEC documents 12 The seating shortage grew so acute that in 1958 the library began to restrict access in the mornings to legitimate users of the library s materials barring newspaper readers between class loungers and study groups The library was always short on staff A full time librarian had only a few part time student assistants to monitor the library during open hours which averaged 60 hours a week during regular sessions Leland Smith a graduate student from 1946 50 recalled There was a staff member on duty during open hours but he she was usually a student and not a graduate librarian We were on our own to locate what we needed a bit bothersome at times but excellent training in finding things 13 A 1958 Daily Texan article on the library reflected the department s continuing emphasis on the library as a place for research not socializing Some libraries on the campus are notorious as places for students to sleep but there s one which caters exclusively to research work and frowns on its use as a study hall Skinner was quoted saying this is a library mostly for graduate students Students don t start using this library until their junior or senior years Most of the material here is rather technical 14 Discouraging undergraduates from using research libraries was not unique to chemistry or to UT during this period Many major academic libraries in the U S including UT s Main Library then located in the Tower were closed stack facilities accessible only to library staff and privileged researchers 15 This was partly out of concern for the security and integrity of valuable collections as well as insufficient study seating But there was also an implicit belief on the part of faculty administrators and even librarians that undergraduates were not intellectually capable of using a real library This was manifested in the presumption that underclassmen didn t need research materials which in turn justified their tacit exclusion Around this time some large universities including UT built undergraduate libraries to serve their lower division students with collections developed specifically for curricular needs and offering additional reference and instructional services But some students must have undoubtedly felt unwelcome in research libraries as a result 16 Longstanding tradition among chemistry libraries coupled with inadequate staffing and limited open hours dictated that faculty staff and graduate students could have keys to the library for after hours access Use of these keys was very heavy made clear by the number of journals left out on tables overnight Smith reminisced about late night library runs As senior graduate students we had a key to the building that also opened the library door operated the elevator and opened a locked toilet stall in the men s room They trusted us in those days I never heard of anyone abusing the privilege Many the night I went next door to the library after hours to check some point Many the night did I leave about 2 AM in the utmost dark with my flashlight to guide my way out of the locked building Liberal key privileges took a serious toll however Regular inventories indicated that a substantial portion of the collection was unaccounted for Mostly these were monographs as journal volumes rarely disappeared Some of the missing books had likely been discarded or checked out and not returned victims of poor record keeping over the years but most were believed spirited out by students and faculty under cover of night The library was re keyed on several occasions to cut down the number of active keys but eventually access would get out of control again An inventory in 1975 counted over 1 200 items missing from a collection of 35 000 volumes The Chemistry Library obtained its first in house photocopy machine in 1963 The Xerox 914 was the world s first plain paper copier and though it was slow 26 seconds per copy and weighed 650 pounds it revolutionized the copying of materials which previously had to be duplicated via laborious wet process methods The searing summer heat of central Texas had always been hard on students and books alike During some summer terms the library had opened as early as 7 a m so that students could do their library research in the marginally cooler early morning hours The Chemistry Library was finally air conditioned in 1964 Mallet Library reading room ca 1968 Two levels of stacks were located through the openings to the right The opening of the Collections Deposit Library in the mid 1960s helped to relieve some of the overcrowding on the shelves Many lesser used volumes were moved to this storage facility located at the corner of Red River and MLK Jr Blvd In 1973 the Home Economics Reading Room collection and the Chemical Engineering Laboratory Collection were absorbed into the Chemistry Library The new Mallet Library facility opened in 1978 and the stacks were less than half full The Mallet Library had long since outgrown its fourth floor location but it was not until 1978 that a major addition to Welch Hall provided new quarters WEL 2 132 under the new central courtyard This 10 000 square foot facility more than four times larger than the previous library contained 150 seats At the time of the move the collection filled less than half of the 14 000 linear feet of shelving 17 In 1993 the Library Storage Facility opened on the Balcones now Pickle Research Campus in north Austin enabling the library to store additional materials including those formerly located in CDL in a climate controlled high density warehouse In 2006 the nutrition materials were transferred to the Life Science Library The library s collection surpassed 100 000 volumes in 2012 The following year a renovation project the first one of any significance in 35 years removed some journal shelving to make room for two glass walled meeting rooms in the southwest corner of the facility part of the evolution of library space from book storage to work spaces for people The Electronic Revolution and New Challenges The University of Texas was a pioneer in library automation having implemented a punch card circulation system in some libraries as early as 1935 Later attempts to digitize circulation records also using punch cards began in the early 70s The Chemistry Library automated its circulation functions in 1983 with the launch of the mainframe based Interactive Circulation System In 1988 the home grown MARC based online catalog UTCAT was launched allowing users to search for books by author title and Library of Congress subject headings making card catalogs obsolete Users and staff could search the catalog on Telex terminals located in the libraries but at first the system was not available outside a library facility Keyword search capabilities were added in the early 90s as were online book renewals and recalls A web version of the catalog UTnetCat appeared in 1995 Catalog cards were originally hand typed then later preprinted Filing cards was a major part of staff duties The card catalogs across the Libraries were closed to new filing in 1988 and Chemistry s file was recycled in 1992 The transition to the digital library began in the 1970s Change was gradual at first since databases were few and hardware was hard to come by The first online searches of the Chemical Abstracts database were done in the mid 70s using primitive teletype terminals connecting by phone to the Lockheed database system later known as Dialog This kind of searching was expensive and required extensive training in order to be both efficient and accurate and most searching was carried out by librarians The Chemistry Library installed its first microcomputer in 1988 an outdated IBM XT soon followed by an even more antiquated IBM PC A modem provided a slow dial up connection to the outside pre Internet world of remote databases Students and faculty now could have direct access to Chemical Abstracts via the low cost Dialog U Search service offered in the library The librarian could also conduct fee based searches on the STN network including ASCII based chemical structure queries in the CAS Registry database The DOS based SANDRA software provided the first graphical structure drawing search mechanism for the printed Beilstein Handbook The library also had a CD ROM player and the first database mounted was the Aldrichem DataSearch CD in 1990 A CD ROM network was established across the General Libraries in 1992 enabling users to access various bibliographic databases from any library The development of the Internet inspired more user centered access with early interfaces such as Telnet and Gopher But it was the advent of the World Wide Web that accelerated the revolution by making many resources available on one s own computer with standard user friendly browser software The Mallet Library s first web page went online in 1994 Scientific journals began launching Web versions in the mid 1990s after several years of pre Web experimentation which had garnered a deceptively lukewarm response from chemists 18 Initial reluctance was quickly overcome and within a decade electronic journals had largely replaced the corresponding printed journals though publishers continue to print them E journals from the American Chemical Society were licensed by UT System in 1999 In 2000 the Libraries began to drop the print subscriptions to many journals in favor of their Web counterparts in order to save the incremental costs of processing binding and housing print journals More than two thirds of the Chemistry Library s journals were electronic only by 2008 Online access to Beilstein Crossfire first licensed in 1997 later known as Reaxys and CAS SciFinder 2000 made searching the chemical literature from one s desktop much easier Technical innovation however was only part of the story The economics of information were pulling in the opposite direction Beginning in the 1960s the number of scientific journals exploded a by product of vastly expanded R D activity during the Cold War Most of these new journals were published by for profit firms such as Elsevier John Wiley and Springer Verlag who sensed a lucrative market that was beyond the capacity of the traditional scholarly and professional societies that had dominated scientific journal publishing up to that time The new journals were typically priced higher than their society counterparts but university libraries initially flush with money from the same R D expansion bought them anyway That heyday was short lived Financial pressures in the late 1970s and early 1980s began to erode education and library budgets nationwide As a result research libraries found themselves unable to afford all the new materials demanded by researchers Relentless inflation of journal prices which frequently exceeded ten percent per year far outstripped a library s ability to maintain its collections After many decades of steady growth libraries entered a period of contraction relative to the growing mass of scientific literature In 1986 price inflation forced the UT Libraries to cancel journals for the first time This painful ritual was repeated in 1988 1990 1992 1995 and also in more recent years By the second decade of the 21st century UT Austin was spending over 1 000 000 per year on chemical information resources in all formats yet was actually acquiring a smaller proportion of the literature

    Original URL path: http://www.lib.utexas.edu/chem/history/mallethist.html (2016-02-17)
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  • SciFinder at UT-Austin
    the campus network You must first register and create your personal SciFinder Web account Click on the Register button to begin this process UT EID required If your EID is refused permission to view the registration page review Who can use SciFinder or contact the Chemistry Library If you already have your UT SciFinder account UT EID required off campus SciFinder Mobile CAS offers a mobile version of SciFinder optimized for use with your mobile browser Note You can t do structure searches and there are no links to full text For more information visit CAS mobile page To connect go to this URL scifinder cas org mobile or snap this QR code with your device s QR reader Then log in with your SciFinder ID and password What Is SciFinder SciFinder is the best place to start your search for research level chemical information It provides integrated user friendly web access to these Chemical Abstracts Service CAS databases plus Medline Chemical Abstracts CAPLUS comprehensive indexing of chemical literature 1907 present Registry chemical structures names synonyms CAS Registry Numbers calculated and experimental properties and spectra CHEMCATS commercial availability of chemicals CHEMLIST regulatory information on chemicals CASREACT single and multistep organic reactions 1840 present MARPAT generic Markush structures from patents 1961 present MEDLINE biomedical literature 1946 present SciFinder News What happened to the Full Text links CAS has changed the Full Text links to the phrases Other Sources and Link to Other Sources on non patent brief and full record displays respectively They still work the same way though Brief display Full record display A note about PatentPak PatentPak is an add on workflow tool recently launched within SciFinder to enhance access to and analysis of full text patent documents It is intended mainly for users in industry At present UT

    Original URL path: http://www.lib.utexas.edu/chem/scifinder.html (2016-02-17)
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  • SciFinder: Help & Frequently Asked Questions
    the results table that you wish to explore further Click Get References On the limiting menu select the Preparation role Registry numbers posted in document records where a preparation method is described are assigned this role These RNs will display with a P attached as a suffix The suffix DP means that the preparation of a derivative is described and this may not be what you want but there is no way to exclude these The Preparation role has been retroactively added to Registry numbers back to 1907 You can use Explore Reactions and draw your target compound as a product along with any starting materials or reactants you wish to include One nice feature of this method is that the experimental procedures section from selected journals is displayed directly in SciFinder allowing you to determine applicability of a reaction more quickly On the Explore by Research Topic page enter a phrase query with a Registry Number preferred or common name less accurate preparation of 12345 67 8 synthesis of chloroaldehyde How do I search by molecular formula Molecular formulas while imprecise can give you searching options not possible any other way But you do have to understand how CAS derives and indexes the MF in Registry records Single component substances Under Explore Substances Molecular Formula tab enter the formula in any element order but add up all the atoms ex Benzoic acid is C7 H6 O2 not C6H5COOH SciFinder will parse and order the formula and ask you for clarification if it s ambiguous Searches are not case sensitive unless the symbols are ambiguous Spaces between the elements are optional Multicomponent substances salts mixtures hydrates etc Separate the individual components with a dot Ex Sodium benzoate is indexed as C7H6O2 Na See the explanation under salts below Polymers Component formulas are in parentheses separated by dots with an x following Ex C8 H8 C4 H6 x Alloys Elements are listed in alphabetical order separated by dots Ex Cr Fe Mo Ni Molecular formula searches often retrieve large numbers of hits You can use the Analyze Refine tool and draw part of the structure to narrow them down or try another kind of search How do I search for salts Salts are often best searched by molecular formula and CAS treats most of them as multicomponent substances composed of a free acid and a base Simple salts like NaCl ClNa are straightforward The formulas of more complex inorganic organometallic and organic salts are indexed as dot disconnect compounds under the following scheme Fc N Fa where Fc is the molecular formula of the cation or acid Fa is the anion or base formula and N is the number of anions which can be a whole number or a fraction Note that the acid s hydrogen s are retained in its component formula Examples Sodium benzoate i e the sodium salt of Benzoic acid C7 H5 Na O2 is searched as C7 H6 O2 Na Calcium phosphate i e the calcium salt of Phosphoric acid Ca3 PO4 2 is searched as Ca 2 3 H3 O4 P Organometallic salts ex C16 H36 N 1 4 C8 Mo N8 This unique format of formula parsing is based on the sorting in the old CA printed formula indexes where all salts would be grouped under the parent acid s alphabetic formula This policy doesn t make as much sense in the digital environment but it is still the operating principle You can also search for salts by drawing the exact structure of either the free acid or the base or both together as separate fragments Since MF is an exact search a search for the simple salt will not also find any hydrates A hydrate can be searched by adding the N H2O as a third component separated by the dot A more extensive overview of searching for inorganic substances How do I search for organometallic compounds Doing structure searches for organometallic and coordination compounds in SciFinder is a challenge If you re looking for an exact structure it s sometimes easier to use the molecular formula option instead An exact name search is less likely to be successful If you re drawing or modifying a substructure always select Show precision analysis before running the search Then select the conventional structure subset of the results Note precision analysis is not available if there is stereochemistry or for similarity searches There s also a limiter for coordination compounds hidden under Advanced options that you can check before doing the search Another tip Turn off valency analysis in the drawing applet s preference pane so that the system doesn t keep bothering you about nonstandard valencies as you draw It will still ask you to confirm the nonstandard valency before doing the search and just click OK to proceed as drawn If there are many results sort them by number of references to bring the best described complexes to the top of your list If you start with just the organic ligand structure or draw a complex with an M any metal shortcut you can use the Analyze by elements tool to sift a results set based on the coordinating metal A more extensive overview of searching for organometallic substances How do I search for polymers CAS registers most polymers as multicomponent substances composed of one or more monomers You can search by name monomer structure or formula and limit retrieval to polymers in the Class es menu Search for general classes of polymers as a research topic Molecular formulas of polymers are indexed as monomer formula s within parentheses followed by an x C8 H8 x C8 H8 C4 H6 x etc Structure searching for copolymers in SciFinder involves executing a search for one monomer as an exact structure then refining the results by adding another monomer It s better to start with the least common monomer Polymers with undefined structures obviously can t be searched by structure but must be found with name and class terms instead STN documentation can be found here How do I search for labeled compounds By structure Search for all labeled analogs of a given sub structure by drawing and searching the structure then using Refine to limit to isotope containing substances It s not possible in SciFinder to search for a specific label at a specific position however By molecular formula Deuterated or tritiated analogs can be searched as D or T within the formula these isotopes are double posted with H in the MF field For example C5 H D6 N is crossposted as C5 H7 N What is Precision Analysis When you draw a substructure you should get in the habit of checking the Show Precision Analysis box before running the search It s not the default nor is it possible to analyze by precision after running the search although this is an often requested improvement When you check the box and click Search SciFinder will show you a pop up box with a selection of candidates to choose from to make your results more precise Precision analysis is not available if there is stereochemistry or for similarity searches But it s important when searching for metal containing organic compounds Conventional Substructure means those structures that contain the substructure exactly as drawn i e the closest matches to what you ve drawn In most searches this is what you should select especially if retrieval is large Closely and loosely associated structures and tautomers often will outnumber the conventional kind and nobody but CAS is quite sure what the difference between closely and loosely is Other results approximately related to the substructure as drawn How can I remove multicomponent substances from my answer set Under the Refine tab choose Chemical Structure then check the single component box below You can also specify Single component from the Characteristics menu before you run the search Can I search for genetic sequences Registry contains records for millions of biosequences and will display the sequences up to a certain length but they are not directly searchable in SciFinder Use the Substance Identifier search to enter names of organisms GenBank IDs etc For sequence searching try the NCBI databases such as GenBank How do I find property values for a compound There are two approaches in SciFinder to search for documents that might contain specific kinds of property data for a compound The most straightforward way is to use the compound s Registry Number in a research topic query e g vapor pressure of 104 76 7 and view the results where the concepts are closely associated with one another The other way which is preferable if you don t already know the RN is to use Explore Substances to find the compound record click Get all References and then use the Refine Topic feature to enter the name of the desired property to narrow the results further Don t select the Properties role when getting references unless you re fairly sure the data was reported after 1967 The substance roles have not been applied retroactively to the pre 1967 segment of the CAPLUS file See the Properties Literature Searching page for more details Can I search for chemical substances by property value s Yes for some properties but not others Many substance records in the Registry file contain calculated or experimental property data Select Property in the Explore Substances tab and then choose a property from the menu and enter a specific value or range of values closed or open ended You can also refine a substance set by experimental property values See the help pages for more information Experimental property data in Registry come mostly from the literature but not all are directly searchable Predicted properties are generated by algorithms from ACD Labs and these are related primarily to pharmaceutical discovery Searching by property value s is more robust in Reaxys and you can also do it in CRC s Combined Chemical Dictionary and Properties of Organic Compounds See Searching by Properties for more information How do I find spectra for a compound IR NMR predicted from ACD Labs and experimental from BioRad Sadtler and some MS spectra are included in a substance s Registry record Searching for documents containing spectral data works basically the same as a property value search above See our Spectral Literature Searching for more details How do I locate commercial chemical suppliers Search for a compound by name structure formula Registry number etc View the record for that compound Click on the Get Commercial Sources button to view a sortable table of commercial suppliers and addresses You can save your preferred suppliers so they ll always be at the top of your list How do I find current regulatory information on substances Search for the substance and locate its Registry record Then click on the Get Regulatory Info link or the button to pull up that compound s CHEMLIST record Why do some substances show zero references Although most Registry substance records come from CAS indexing of the literature some compounds are registered from other sources and are not necessarily represented by any indexed literature Third party chemical libraries catalogs and databases from various external agencies as well as hypothetical ring parents are also included in the database You can exclude compounds with zero references from your results using the Refine by Chemical Structure tool or you can re sort your set by number of references to move them to the bottom How do I search for chemical reactions Select Explore Reactions from the task menu Draw a reaction scheme including one or more reactants reagents a reaction arrow and a product sub structure You can focus your substructure search more narrowly and avoid error messages or too many hits by using the locking tools mapping atoms and defining reaction sites bonds broken or formed in the drawing module You can also apply pre limits such as solvent number of steps classification year etc Click Get Reactions to run the search in the CASREACT database Results are sorted by relevance For more information see the Training guides Where does SciFinder s reaction information come from The CASREACT file primarily contains reaction information derived from journals indexed in the Organic sections which include organometallics of Chemical Abstracts since 1985 and patents since 1991 This content is augmented by a selection of smaller third party reaction files stretching back to 1840 VINITI ZIC INPI Wiley reference works etc Reaxys is superior for its reaction coverage before 1985 but SciFinder is better thereafter For thoroughness you should use both sources Are the cited references in the CA record searchable Yes Cited references representing the works appearing in an article s bibliography are listed in CAPLUS bibliographic records for most indexed Latin alphabet journals and basic patents since 1997 Most references are hyperlinked to the corresponding bibliographic record just click on the citation to go to that record To find later documents that cite a specific work or group of works such as by author pull up a group of records select one or more or just use the entire results set and click Get Citing in the task bar This will pull up a set of documents post 1997 that cited the selected original s Web of Science allows more extensive analysis of citations back to 1900 and calculates an h index More information on citation searching How does SciFinder handle older literature The 1907 1966 segment of the CAPLUS file is searchable by Research Topic Author and most other fields All indexing data for chemical substances from the 1st through 7th Collective Indexes have been added and algorithmically matched with Registry Numbers Note If you start from a chemical substance record click Get References and then select from the Roles menu Adverse effect Analytical study etc you will retrieve results only from the 1967 file segment Chemical Roles for Registry Numbers have NOT been retroactively applied to pre 1967 CA records with the exception of the Preparation role which has been added back to 1907 The interface and the help pages do not make these important distinctions clear CAS added some bibliographic records for pre 1907 literature from other sources Reaxys with Beilstein and Gmelin content is a good alternative to search for older literature on specific substances See the Historical Literature pathfinder for more information on pre 1907 searching Can I search CA abstract numbers in SciFinder Abstract records from 1967 to present can be searched by abstract number e g 101 59753 in the Document Identifier tab Abstract numbers from 1907 1966 are not searchable or displayable in SciFinder These are the numbers that look like 53 2185a indicating that the original abstract appeared in volume 53 of printed Chemical Abstracts in column number 2185 position a top of the column These positional numbers did not necessarily correspond to a specific abstract and thus one to one matches aren t possible The CAN number displayed in the CAPLUS file for records prior to 1967 is a computer generated accession number which does NOT correspond to the printed CA It looks like this 1966 10072 or 64 10072 If you have only an old CA abstract number you must use the print CA to find the abstract If you need to find a genuine CA number for an older reference you can look it up in the print or ask the librarian for assistance Does SciFinder index translation journals Up to about 1995 CAS indexed only the original journals mostly Russian rather than their delayed English translations Starting in 1995 CAS began to switch to selected translations when they were apparently simultaneous and complete More information on translation journals Does SciFinder index books Generally not The definition of books is fuzzy though CAS does index the chapters of some review serials annuals such as Organic Reactions and major reference works on a selective basis but most monographic content is not included Google Books and the main Google engine are good alternatives to find chapter level and full text content from historical and recent books respectively What patents are covered Worldwide chemical patents and applications are thoroughly indexed and cross referenced in SciFinder CAS policy is to index the first published patent document usually a non U S application in a family and subsequent granted patents and other applications are listed in the Patent Family table in the full record Note PatentPak is an add on workflow tool within SciFinder to enhance access to and analysis of full text patent documents It is intended mainly for users in industry UT Austin users do not have access to PatentPak functionality apart from 5 free trial uses per user account For coverage details see the CAS Patent Coverage page For full text retrieval see Patent Full Text below The SciFinder interface is not intended for comprehensive patentability prior art searching which should be done by experienced patent searchers using specialized databases The academic usage terms prohibit using SciFinder for any profit making purpose regardless of one s academic status or affiliation How can I remove patents from my results Click the Refine tab from a results screen then choose Document Type and select from the menu only those types of documents you wish to see What are Markush structures Markush structures are generic chemical structures drawn according to patent claims conventions and found in chemical patents worldwide They are distinct from the precise structures found in the Registry database and are searched separately in the MARPAT file using the Markush structure option under the Explore Substances tab An example from Wikipedia The MARPAT file contains more than 1 million searchable Markush structures from patents covered by CAS from 1961 to the present records from 1961 87 are derived from French INPI data and is updated daily Markush structures include organic and organometallic molecules reported in patents from countries covered by Chemical Abstracts except Korea Not included are alloys

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  • Reaxys at UT Austin
    Names and Formulas tab Enter the CAS Registry Number in the appropriate box If the RN is in the Reaxys index you ll see it in the pull down list as you type Click OK then click Search on the next form If you don t have the CAS RN or if you get no hits do a search by structure molecular formula or chemical name In the table entry for the matching compound click Show Details or the appropriate link under Available Data Open the desired data category to view the data table Can I search by property values Yes but it can get complicated Under the Names and Formulas tab click on the Properties button and select property fields and enter values which will then appear in search syntax form in the query box Due to the huge number of property values in the Reaxys database this technique is most useful in conjunction with a substructure search and if you enter a range of values for a property it s best to keep that range narrow to avoid large results sets You can also use the exists operator to limit to substances that contain a particular field without having to enter values for that field Remember also that a substance record might contain many values for a given property in a table based on different conditions and from different sources To ensure that queried subfields are found in the same row of a data table use the Proximity operator in the Advanced tab instead of the And operator Example syntax BP BP 69 72 PROXIMITY BP P 760 Are property data in Reaxys critically evaluated Some data derived from the print Handbooks were originally assessed for consistency but more recent data excerpted directly from the literature are not And since there s no way to tell the difference you have to assume it s not Data taken from patents should be viewed with particular skepticism All excerpted data are experimental however not derived or calculated Does Reaxys contain spectra Reaxys contains plentiful spectral data on chemical compounds as reported in the primary literature but no graphical spectra You can use the form based search to specify spectroscopic data with various parameters More information Why are PubChem records shown in Reaxys Reaxys automatically searches the NIH PubChem database in parallel when you do a substance structure identification search PubChem results are loaded under a separate tab and you can toggle back and forth between the two lists This can be a bit confusing when you get PubChem hits but no Reaxys hits If you enter additional Property search parameters these are ignored in the PubChem search since the latter s data structure is very different Reaxys and PubChem are separate databases that are otherwise unrelated Reaxys is literature based PubChem is crowd sourced What is the Ask Reaxys search box This feature is analogous to SciFinder s topic search box It parses your terms and attempts to find the

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  • ThermoDex | University of Texas Libraries
    heat of neutralization heat of reaction heat of solution heat of sublimation heat of transformation heat of transition heat of vaporization heating value Henrys Law constant hydroxyl radial reaction rate constant ideal gas properties internal energy ionization energy ionization potential Joule Thomson coefficient latent heat latent heat of vaporization lattice enthalpy liquid liquid equilibrium liquid molar volume LLE Margules constant mass transfer coefficient mean ionic activity coefficient melting point miscibility molal activity coefficient molar heat molar heat capacity molar refraction molar volume molecular weight Mollier diagram NRTL constant octanol water partition coefficient orthobaric density Pen Robinson parameter phase equilibrium phase transition pK Prandtl number pressure proton affinity PVT radius of gyration rate constant refractive index reversible transition saturated vapor pressure saturated vapor volume Solid liquid equilibrium solubility solubility parameter sound velocity specific dispersion specific gravity specific heat specific heat capacity specific magnetic rotary power specific refraction specific volume superconductivity surface tension temperature of fusion temperature of sublimation temperature of transition temperature of vaporization thermal conductivity thermal electromotive force thermal expansion thermal pressure threshold limit value toxicity transport number triple point pressure triple point temperature UNIQUAC constant van der Waals volume Van Laar constant vapor liquid equilibrium vapor pressure virial coefficient viscosity VLE volumetric expansion Wilson constant To select multiple items from this box click on terms while holding down the Ctrl key Windows or Apple key Mac Select COMPOUNDS you are looking for Any Common Categories elements gases hydrocarbons inorganic liquids organic More Compounds acetone acetylene air alcohols alloys ammonia antioxidants argon benzene binary systems boron trifluoride butane carbon dioxide carbon monoxide chlorine chloroform coatings crystals decane deuterium diolefins electrolytes elements ethane ethanol ethyl ether ethylene ethylene glycol fats fluorine foods freons fuels gases glycerol graphites halogens helium heptane hexane hydrocarbons hydrogen hydrogen chloride hydrogen iodide hydrogen sulfide ice industrial

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