skip to content
Modeling the hydrogen bond : developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993 Preview this item
ClosePreview this item
Checking...

Modeling the hydrogen bond : developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993

Author: Douglas A Smith; American Chemical Society. Division of Computers in Chemistry.; American Chemical Society. Meeting
Publisher: Washington, DC : American Chemical Society, 1994.
Series: ACS symposium series, 569.
Edition/Format:   eBook : Document : Conference publication : EnglishView all editions and formats
Database:WorldCat
Rating:

(not yet rated) 0 with reviews - Be the first.

Subjects
More like this

 

Find a copy online

Find a copy in the library

&AllPage.SpinnerRetrieving; Finding libraries that hold this item...

Details

Genre/Form: Electronic books
Conference papers and proceedings
Congresses
Congrès
Additional Physical Format: Print version:
American Chemical Society. Meeting (206th : 1993 : Chicago, Ill.).
Modeling the hydrogen bond.
Washington, DC : American Chemical Society, 1994
(DLC) 94031645
(OCoLC)30914637
Material Type: Conference publication, Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Douglas A Smith; American Chemical Society. Division of Computers in Chemistry.; American Chemical Society. Meeting
ISBN: 9780841214705 0841214700
OCLC Number: 435462635
Notes: Title from PDF title page (ACS publications, viewed Sept 1, 2009).
Reproduction Notes: Electronic reproduction. [S.l.] : HathiTrust Digital Library, 2010. MiAaHDL
Description: 1 online resource (x, 300 pages) : illustrations.
Details: Master and use copy. Digital master created according to Benchmark for Faithful Digital Reproductions of Monographs and Serials, Version 1. Digital Library Federation, December 2002.
Contents: A brief history of the hydrogen bond / Douglas A. Smith --
Computation of intermolecular interactions with a combined quantum mechanical and classical approach / Jiali Gao --
Inclusion of explicit solvent molecules in a self-consistent-reaction field model of solvation / T.A. Keith and M.J. Frisch --
Effect of hydrogen bonding on molecular electrostatic potential / M. Dominic Ryan --
Competing intra- and intermolecular hydrogen bonds for organic solutes in aqueous solution / Peter I. Nagy, Graham J. Durant, and Douglas A. Smith --
Energetics and structure in model neutral, anionic, and cationic hydrogen-bonded complexes : combined ab initio SCF/MP2 supermolecular, density functional, and molecular mechanics investigation / Nohad Gresh, Martin Leboeuf, and Dennis Salahub --
SAM1 : general description and performance evaluation for hydrogen bonds / Andrew J. Holden and Earl M. Evleth --
Search for analytical functions to simulate proton transfers in hydrogen bonds / Steve Scheiner and Xiaofeng Duan --
Effective fragement method for modeling intermolecular hydrogen-bonding effects on quantum mechanical calculations / Jan H. Jensen [and others] --
Modeling the hydrogen bond with transferable atom equivalents / Curt M. Breneman [and others] --
Analysis of hydrogen bonding and stability of protein secondary structures in molecular dynamics simulation / S. Vijayakumar [and others] --
Unusual cross-strand hydrogen bonds in oligopurine-oligopyrimidine duplexes : computer graphics presentations of hydrogen bonds in DNA molecular dynamics simulation / Masayuki Shibata and Theresa Julia Zielinski --
STRIPS : an algorithm for generating two-dimensional hydrogen-bond topology diagrams for proteins / G. Ravishanker, S. Vijayakumar, and D.L. Beveridge --
Role of specific intermolecular interactions in modulating spectroscopic properties of photoreactive compounds bound to proteins / Marshall G. Cory, Jr., Nigel G.J. Richards, and Michael C. Zerner --
Comparisons of hydrogen bonding in small carbohydrate molecules by diffraction and MM3 (92) calculations / A.D. French and D.P. Miller --
Role of nonbonded interactions in determining solution conformations of oligosaccharides / Robert J. Woods [and others] --
Modeling hydrogen bond energies in pseudoladder polymers based on the polybenzobisazole backbone / S. Trohalaski, A.T. Yeates, and D.S. Dudis --
Borohydrides as novel hydrogen -bond acceptors / M.A. Zottola [and others].
Series Title: ACS symposium series, 569.
Responsibility: Douglas A. Smith, editor.

Reviews

User-contributed reviews
Retrieving GoodReads reviews...
Retrieving DOGObooks reviews...

Tags

Be the first.
Confirm this request

You may have already requested this item. Please select Ok if you would like to proceed with this request anyway.

Linked Data


Primary Entity

<http://www.worldcat.org/oclc/435462635> # Modeling the hydrogen bond : developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993
    a schema:MediaObject, schema:Book, schema:CreativeWork ;
    library:oclcnum "435462635" ;
    library:placeOfPublication <http://experiment.worldcat.org/entity/work/data/180691608#Place/washington_dc> ; # Washington, DC
    library:placeOfPublication <http://id.loc.gov/vocabulary/countries/dcu> ;
    schema:about <http://experiment.worldcat.org/entity/work/data/180691608#Topic/liaisons_hydrogene_simulation_methodes_de> ; # Liaisons hydrogène--Simulation, Méthodes de
    schema:about <http://experiment.worldcat.org/entity/work/data/180691608#Topic/hydrogen_bonding_simulation_methods> ; # Hydrogen bonding--Simulation methods
    schema:about <http://experiment.worldcat.org/entity/work/data/180691608#Topic/science_chemistry_physical_&_theoretical> ; # SCIENCE--Chemistry--Physical & Theoretical
    schema:about <http://dewey.info/class/541.224/e20/> ;
    schema:about <http://experiment.worldcat.org/entity/work/data/180691608#Topic/waterstofbruggen> ; # Waterstofbruggen
    schema:bookFormat schema:EBook ;
    schema:contributor <http://viaf.org/viaf/141762362> ; # American Chemical Society. Division of Computers in Chemistry.
    schema:contributor <http://viaf.org/viaf/9949317> ; # Douglas A. Smith
    schema:contributor <http://viaf.org/viaf/143088599> ; # American Chemical Society. Meeting
    schema:datePublished "1994" ;
    schema:description "A brief history of the hydrogen bond / Douglas A. Smith -- Computation of intermolecular interactions with a combined quantum mechanical and classical approach / Jiali Gao -- Inclusion of explicit solvent molecules in a self-consistent-reaction field model of solvation / T.A. Keith and M.J. Frisch -- Effect of hydrogen bonding on molecular electrostatic potential / M. Dominic Ryan -- Competing intra- and intermolecular hydrogen bonds for organic solutes in aqueous solution / Peter I. Nagy, Graham J. Durant, and Douglas A. Smith -- Energetics and structure in model neutral, anionic, and cationic hydrogen-bonded complexes : combined ab initio SCF/MP2 supermolecular, density functional, and molecular mechanics investigation / Nohad Gresh, Martin Leboeuf, and Dennis Salahub -- SAM1 : general description and performance evaluation for hydrogen bonds / Andrew J. Holden and Earl M. Evleth -- Search for analytical functions to simulate proton transfers in hydrogen bonds / Steve Scheiner and Xiaofeng Duan -- Effective fragement method for modeling intermolecular hydrogen-bonding effects on quantum mechanical calculations / Jan H. Jensen [and others] -- Modeling the hydrogen bond with transferable atom equivalents / Curt M. Breneman [and others] -- Analysis of hydrogen bonding and stability of protein secondary structures in molecular dynamics simulation / S. Vijayakumar [and others] -- Unusual cross-strand hydrogen bonds in oligopurine-oligopyrimidine duplexes : computer graphics presentations of hydrogen bonds in DNA molecular dynamics simulation / Masayuki Shibata and Theresa Julia Zielinski -- STRIPS : an algorithm for generating two-dimensional hydrogen-bond topology diagrams for proteins / G. Ravishanker, S. Vijayakumar, and D.L. Beveridge -- Role of specific intermolecular interactions in modulating spectroscopic properties of photoreactive compounds bound to proteins / Marshall G. Cory, Jr., Nigel G.J. Richards, and Michael C. Zerner -- Comparisons of hydrogen bonding in small carbohydrate molecules by diffraction and MM3 (92) calculations / A.D. French and D.P. Miller -- Role of nonbonded interactions in determining solution conformations of oligosaccharides / Robert J. Woods [and others] -- Modeling hydrogen bond energies in pseudoladder polymers based on the polybenzobisazole backbone / S. Trohalaski, A.T. Yeates, and D.S. Dudis -- Borohydrides as novel hydrogen -bond acceptors / M.A. Zottola [and others]."@en ;
    schema:exampleOfWork <http://worldcat.org/entity/work/id/180691608> ;
    schema:genre "Electronic books"@en ;
    schema:genre "Conference publication"@en ;
    schema:genre "Conference papers and proceedings"@en ;
    schema:inLanguage "en" ;
    schema:isPartOf <http://experiment.worldcat.org/entity/work/data/180691608#Series/acs_symposium_series> ; # ACS symposium series ;
    schema:isSimilarTo <http://www.worldcat.org/oclc/30914637> ;
    schema:name "Modeling the hydrogen bond : developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993"@en ;
    schema:productID "435462635" ;
    schema:publication <http://www.worldcat.org/title/-/oclc/435462635#PublicationEvent/washington_dc_american_chemical_society_1994> ;
    schema:publisher <http://experiment.worldcat.org/entity/work/data/180691608#Agent/american_chemical_society> ; # American Chemical Society
    schema:url <http://dx.doi.org/10.1021/bk-1994-0569> ;
    schema:url <http://catalog.hathitrust.org/api/volumes/oclc/30914637.html> ;
    schema:workExample <http://worldcat.org/isbn/9780841214705> ;
    wdrs:describedby <http://www.worldcat.org/title/-/oclc/435462635> ;
    .


Related Entities

<http://dx.doi.org/10.1021/bk-1994-0569>
    rdfs:comment "Restricted access" ;
    .

<http://experiment.worldcat.org/entity/work/data/180691608#Agent/american_chemical_society> # American Chemical Society
    a bgn:Agent ;
    schema:name "American Chemical Society" ;
    .

<http://experiment.worldcat.org/entity/work/data/180691608#Place/washington_dc> # Washington, DC
    a schema:Place ;
    schema:name "Washington, DC" ;
    .

<http://experiment.worldcat.org/entity/work/data/180691608#Series/acs_symposium_series> # ACS symposium series ;
    a bgn:PublicationSeries ;
    schema:hasPart <http://www.worldcat.org/oclc/435462635> ; # Modeling the hydrogen bond : developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993
    schema:name "ACS symposium series ;" ;
    .

<http://experiment.worldcat.org/entity/work/data/180691608#Topic/liaisons_hydrogene_simulation_methodes_de> # Liaisons hydrogène--Simulation, Méthodes de
    a schema:Intangible ;
    schema:name "Liaisons hydrogène--Simulation, Méthodes de"@fr ;
    .

<http://experiment.worldcat.org/entity/work/data/180691608#Topic/science_chemistry_physical_&_theoretical> # SCIENCE--Chemistry--Physical & Theoretical
    a schema:Intangible ;
    schema:name "SCIENCE--Chemistry--Physical & Theoretical"@en ;
    .

<http://viaf.org/viaf/141762362> # American Chemical Society. Division of Computers in Chemistry.
    a schema:Organization ;
    schema:name "American Chemical Society. Division of Computers in Chemistry." ;
    .

<http://viaf.org/viaf/143088599> # American Chemical Society. Meeting
    a schema:Organization ;
    schema:name "American Chemical Society. Meeting" ;
    .

<http://viaf.org/viaf/9949317> # Douglas A. Smith
    a schema:Person ;
    schema:birthDate "1959" ;
    schema:familyName "Smith" ;
    schema:givenName "Douglas A." ;
    schema:name "Douglas A. Smith" ;
    .

<http://worldcat.org/isbn/9780841214705>
    a schema:ProductModel ;
    schema:isbn "0841214700" ;
    schema:isbn "9780841214705" ;
    .

<http://www.worldcat.org/oclc/30914637>
    a schema:CreativeWork ;
    rdfs:label "Modeling the hydrogen bond." ;
    schema:description "Print version:" ;
    schema:isSimilarTo <http://www.worldcat.org/oclc/435462635> ; # Modeling the hydrogen bond : developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993
    .

<http://www.worldcat.org/title/-/oclc/435462635>
    a genont:InformationResource, genont:ContentTypeGenericResource ;
    schema:about <http://www.worldcat.org/oclc/435462635> ; # Modeling the hydrogen bond : developed from a symposium sponsored by the Division of Computers in Chemistry at the 206th National Meeting of the American Chemical Society, Chicago, Illinois, August 22-27, 1993
    schema:dateModified "2016-05-28" ;
    void:inDataset <http://purl.oclc.org/dataset/WorldCat> ;
    .


Content-negotiable representations

Close Window

Please sign in to WorldCat 

Don't have an account? You can easily create a free account.