Multiscale molecular methods in applied chemistry:
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Berlin [u.a.]
Springer
2012
|
| Schriftenreihe: | Topics in current chemistry
307 |
| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | XII, 326 S. Ill., graph. Darst. |
| ISBN: | 9783642249679 9783642249686 |
Internformat
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Datensatz im Suchindex
| _version_ | 1805146096955031552 |
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| adam_text |
IMAGE 1
CONTENTS
FIRST-PRINCIPLES-BASED MULTISCALE, MULTIPARADIGM MOLECULAR MECHANICS AND
DYNAMICS METHODS FOR DESCRIBING COMPLEX CHEMICAL PROCESSES 1 ANDRES
JARAMILLO-BOTERO. ROBERT NIELSEN, RAVI ABROL, JULIUS SU, TOD PASCAL.
JONATHAN MUELLER, AND WILLIAM A. GODDARD III
DYNAMIC QM/MM: A HYBRID APPROACH TO SIMULATING GAS-LIQUID INTERACTIONS
43
SCOTT YOCKEL AND GEORGE C. SCHATZ
MULTISCALE MODELLING IN COMPUTATIONAL HETEROGENEOUS CATALYSIS 69 F.J.
KEIL
REAL-WORLD PREDICTIONS FROM AB INITIO MOLECULAR DYNAMICS SIMULATIONS 109
BARBARA KIRCHNER, PHILIPP J. DI DIO, AND JIIRG HUTTER
NANOSCALE WETTING UNDER ELECTRIC FIELD FROM MOLECULAR SIMULATIONS . 155
CHRISTOPHER D. DAUB, DUSAN BRATKO. AND ALENKA LUZAR
MOLECULAR SIMULATIONS OF RETENTION IN CHROMATOGRAPHIE SYSTEMS: USE OF
BIASED MONTE CARLO TECHNIQUES TO ACCESS MULTIPLE TIME AND LENGTH SCALES
181
JAKE L. RAFFERTY. J. ILJA SIEPMANN, AND MARK R. SCHURE
THERMODYNAMIC PROPERTIES FOR APPLICATIONS IN CHEMICAL INDUSTRY VIA
CLASSICAL FORCE FIELDS 201
GABRIELA GUEVARA-CARRION. HANS HASSE, AND JADRAN VRABEC
BIBLIOGRAFISCHE INFORMATIONEN HTTP://D-NB.INFO/1016104758
DIGITALISIERT DURCH
IMAGE 2
CONTENTS
MULTISCALE APPROACHES AND PERSPECTIVES TO MODELING AQUEOUS ELECTROLYTES
AND POLYELECTROLYTES 25 1
LUIGI DELLE SITE, CHRISTIAN HOLM, AND NICO F.A. VAN DER VEGT
COARSE-GRAINED MODELING FOR MACROMOLECULAR CHEMISTRY 295 HOSSEIN AH
KARIMI-VARZANEH AND FLORIAN MUELLER-PLATHE
INDEX 323 |
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| dewey-full | 540.1133 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 540 - Chemistry and allied sciences |
| dewey-raw | 540.1133 |
| dewey-search | 540.1133 |
| dewey-sort | 3540.1133 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Book |
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| isbn | 9783642249679 9783642249686 |
| language | English |
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| physical | XII, 326 S. Ill., graph. Darst. |
| publishDate | 2012 |
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| publisher | Springer |
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| series | Topics in current chemistry |
| series2 | Topics in current chemistry |
| spelling | Multiscale molecular methods in applied chemistry eds.: Barbara Kirchner ... With contributions by R. Abrol ... Berlin [u.a.] Springer 2012 XII, 326 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Topics in current chemistry 307 Mehrskalenmodell (DE-588)7600619-0 gnd rswk-swf Computational chemistry (DE-588)4290091-8 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Computational chemistry (DE-588)4290091-8 s Mehrskalenmodell (DE-588)7600619-0 s DE-604 Kirchner, Barbara 1970- (DE-588)136102646 edt Abrol, Ravi Sonstige oth Erscheint auch als Online-Ausgabe Multiscale Molecular Methods in Applied Chemistry Topics in current chemistry 307 (DE-604)BV002530870 307 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=3896958&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024746277&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Multiscale molecular methods in applied chemistry Topics in current chemistry Mehrskalenmodell (DE-588)7600619-0 gnd Computational chemistry (DE-588)4290091-8 gnd |
| subject_GND | (DE-588)7600619-0 (DE-588)4290091-8 (DE-588)4143413-4 |
| title | Multiscale molecular methods in applied chemistry |
| title_auth | Multiscale molecular methods in applied chemistry |
| title_exact_search | Multiscale molecular methods in applied chemistry |
| title_full | Multiscale molecular methods in applied chemistry eds.: Barbara Kirchner ... With contributions by R. Abrol ... |
| title_fullStr | Multiscale molecular methods in applied chemistry eds.: Barbara Kirchner ... With contributions by R. Abrol ... |
| title_full_unstemmed | Multiscale molecular methods in applied chemistry eds.: Barbara Kirchner ... With contributions by R. Abrol ... |
| title_short | Multiscale molecular methods in applied chemistry |
| title_sort | multiscale molecular methods in applied chemistry |
| topic | Mehrskalenmodell (DE-588)7600619-0 gnd Computational chemistry (DE-588)4290091-8 gnd |
| topic_facet | Mehrskalenmodell Computational chemistry Aufsatzsammlung |
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