Reactive force fields for proton transfer dynamics (Englisch)
- Neue Suche nach: Lammers, S.
- Neue Suche nach: Lutz, S.
- Neue Suche nach: Meuwly, M.
- Neue Suche nach: Lammers, S.
- Neue Suche nach: Lutz, S.
- Neue Suche nach: Meuwly, M.
In:
JOURNAL OF COMPUTATIONAL CHEMISTRY
;
29
, 7
;
1048-1063
;
2008
-
ISSN:
- Aufsatz (Zeitschrift) / Print
-
Titel:Reactive force fields for proton transfer dynamics
-
Beteiligte:
-
Erschienen in:JOURNAL OF COMPUTATIONAL CHEMISTRY ; 29, 7 ; 1048-1063
-
Verlag:
- Neue Suche nach: John Wiley & Sons, Ltd
-
Erscheinungsdatum:01.01.2008
-
Format / Umfang:16 pages
-
ISSN:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Print
-
Sprache:Englisch
- Neue Suche nach: 542.8
- Weitere Informationen zu Dewey Decimal Classification
-
Klassifikation:
DDC: 542.8 -
Datenquelle:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Inhaltsverzeichnis – Band 29, Ausgabe 7
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 1019
-
The implementation of a fast and accurate QM/MM potential method in AmberWalker, Ross C. / Crowley, Michael F. / Case, David A. et al. | 2008
- 1032
-
Globally convergent computation of chemical equilibrium compositionPatil, Sunil / Aiyer, R. C. / Sharma, K. C. et al. | 2008
- 1037
-
A DFT study of solvation effects on the tautomeric equilibrium and catalytic ylide generation of thiamin modelsAlstrup Lie, Mette / Schiøtt, Birgit et al. | 2008
- 1048
-
Reactive force fields for proton transfer dynamicsLammers, Sven / Lutz, Stephan / Meuwly, Markus et al. | 2008
- 1064
-
The hardness kernel as the basis for global and local reactivity indicesTorrent‐Sucarrat, Miquel / Salvador, Pedro / Solà, Miquel / Geerlings, Paul et al. | 2008
- 1073
-
Carbon nanotube, graphene, nanowire, and molecule‐based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles theoryKim, Woo Youn / Kim, Kwang S. et al. | 2008
- 1084
-
An intramolecular induction correction model of the molecular dipole momentHolt, Asbjørn / Karlström, Gunnar et al. | 2008
- 1092
-
Computational protein design: Software implementation, parameter optimization, and performance of a simple modelSchmidt Am Busch, Marcel / Lopes, Anne / Mignon, David / Simonson, Thomas et al. | 2008
- 1103
-
DFT conformational studies of α‐maltotrioseSchnupf, Udo / Willett, Julious L. / Bosma, Wayne B. / Momany, Frank A. et al. | 2008
- 1103
-
DFT conformational studies of a-maltotrioseSchnupf, U. / Willett, J. L. / Bosma, W. B. / Momany, F. A. et al. | 2008
- 1103
-
DFT conformational studies of α-maltotrioseFNR HREF="fn1">FN ID="fn1">Names are necessary to report factually on available data; however, the USDA neither guarantees nor warrants the standard of the product, and the use of the name by USDA implies no approval of the product to the exclusion of others that may also be suitableSchnupf, Udo et al. | 2008
- 1113
-
Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged moleculesPrabhu, Ninad V. / Panda, Manoranjan / Yang, Qingyi / Sharp, Kim A. et al. | 2008
- 1131
-
A Gibbs free energy correlation for automated docking of carbohydratesHill, Anthony D. / Reilly, Peter J. et al. | 2008
- 1142
-
Thermodynamic and structural properties of methanol–water solutions using nonadditive interaction modelsZhong, Yang / Warren, G. Lee / Patel, Sandeep et al. | 2008
- 1153
-
An improved pairwise decomposable finite‐difference Poisson–Boltzmann method for computational protein designVizcarra, Christina L. / Zhang, Naigong / Marshall, Shannon A. / Wingreen, Ned S. / Zeng, Chen / Mayo, Stephen L. et al. | 2008
- 1163
-
Parameterization of Ca+2–protein interactions for molecular dynamics simulationsProject, Elad / Nachliel, Esther / Gutman, Menachem et al. | 2008
- 1170
-
Theoretical study on the OH + CH3NHC(O)OCH3 reactionZhang, Hui / Zhang, Gui‐Ling / Liu, Jing‐Yao / Liu, Bo / Yu, Xiao‐Yang / Li, Ze‐Sheng et al. | 2008
- 1177
-
Time‐averaged predictions of folded and misfolded peptides using a reduced physicochemical modelClarke, Oliver J. / Parker, Martin J. et al. | 2008