Multiscale Molecular Methods in Applied Chemistry
A. Jaramillo-Botero R. Nielsen R. Abrol J. Su T. Pascal J. Mueller W. A. Goddard First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes S. Yockel G. C. Schatz Dynamic QM/MM: A Hybrid Approach to Simulating Gas-Liquid Intera...
| Published in: | Springer eBooks |
|---|---|
| Corporate Author: | |
| Other Authors: | , |
| Format: | eBook |
| Language: | English |
| Published: |
Berlin, Heidelberg :
Springer Berlin Heidelberg,
2012.
|
| Series: | Topics in Current Chemistry,
|
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1007/978-3-642-24968-6 Перейти в каталог НБ ТГУ |
| LEADER | 04185nam a22005415i 4500 | ||
|---|---|---|---|
| 001 | vtls000482635 | ||
| 003 | RU-ToGU | ||
| 005 | 20210922065200.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 140711s2012 gw | s |||| 0|eng d | ||
| 020 | |a 9783642249686 |9 978-3-642-24968-6 | ||
| 024 | 7 | |a 10.1007/978-3-642-24968-6 |2 doi | |
| 035 | |a to000482635 | ||
| 039 | 9 | |y 201407111544 |z Александр Эльверович Гилязов | |
| 040 | |a Springer |c Springer |d RU-ToGU | ||
| 050 | 4 | |a QD415-436 | |
| 072 | 7 | |a PNN |2 bicssc | |
| 072 | 7 | |a SCI013040 |2 bisacsh | |
| 082 | 0 | 4 | |a 547 |2 23 |
| 100 | 1 | |a Kirchner, Barbara. |e editor. |9 411177 | |
| 245 | 1 | 0 | |a Multiscale Molecular Methods in Applied Chemistry |h electronic resource |c edited by Barbara Kirchner, Jadran Vrabec. |
| 260 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg, |c 2012. |9 719423 | ||
| 300 | |a XII, 328 p. |b online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Topics in Current Chemistry, |x 0340-1022 ; |v 307 | |
| 505 | 0 | |a First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes, by A. Jaramillo-Botero, R. Nielsen, R. Abrol, J. Su, T. Pascal, J. Mueller and W. A. Goddard -- Dynamic QM/MM: A Hybrid Approach to Simulating Gas-Liquid Interactions, by S. Yockel and G. C. Schatz -- Multiscale Modelling in Computational Heterogeneous Catalysis, by F. J. Keil -- Real-World Predictions from Ab Initio Molecular Dynamics Simulations, by B. Kirchner, P. J. di Dio and J. Hutter -- Nanoscale Wetting Under Electric Field from Molecular Simulations, by C. D. Daub, D. Bratko and A. Luzar -- Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales, by J. L. Rafferty, J. I. Siepmann, M. R. Schure -- Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields, by G. Guevara-Carrion, H. Hasse and J. Vrabec -- Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes, by L. Delle Site, C. Holm and N. F. A. van der Vegt -- Coarse-Grained Modeling for Macromolecular Chemistry, by H. A. Karimi-Varzaneh and F. Müller-Plathe. | |
| 520 | |a A. Jaramillo-Botero R. Nielsen R. Abrol J. Su T. Pascal J. Mueller W. A. Goddard First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes S. Yockel G. C. Schatz Dynamic QM/MM: A Hybrid Approach to Simulating Gas-Liquid Interactions F. J. Keil Multiscale Modelling in Computational Heterogeneous Catalysis B. Kirchner P. J. di Dio J. Hutter Real-World Predictions from Ab Initio Molecular Dynamics Simulations C. D. Daub D. Bratko A. Luzar Nanoscale Wetting Under Electric Field from Molecular Simulations J. L. Rafferty J. I. Siepmann M. R. Schure Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales G. Guevara-Carrion H. Hasse J. Vrabec.- Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields | ||
| 650 | 0 | |a chemistry. |9 161768 | |
| 650 | 0 | |a Chemistry |x Mathematics. |9 310451 | |
| 650 | 0 | |a Chemistry, Organic. |9 299058 | |
| 650 | 0 | |a Chemistry, Physical organic. |9 566250 | |
| 650 | 1 | 4 | |a Chemistry. |9 161768 |
| 650 | 2 | 4 | |a Organic Chemistry. |9 299061 |
| 650 | 2 | 4 | |a Theoretical and Computational Chemistry. |9 307180 |
| 650 | 2 | 4 | |a Computer Applications in Chemistry. |9 308310 |
| 650 | 2 | 4 | |a Physical Chemistry. |9 566251 |
| 650 | 2 | 4 | |a Math. Applications in Chemistry. |9 304778 |
| 700 | 1 | |a Vrabec, Jadran. |e editor. |9 411178 | |
| 710 | 2 | |a SpringerLink (Online service) |9 143950 | |
| 773 | 0 | |t Springer eBooks | |
| 830 | 0 | |a Topics in Current Chemistry, |9 316165 | |
| 856 | 4 | 0 | |u http://dx.doi.org/10.1007/978-3-642-24968-6 |
| 856 | |y Перейти в каталог НБ ТГУ |u https://koha.lib.tsu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=354526 | ||
| 912 | |a ZDB-2-CMS | ||
| 950 | |a Chemistry and Materials Science (Springer-11644) | ||
| 999 | |c 354526 |d 354526 | ||