Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry
Latest Publications

TOTAL DOCUMENTS

(FIVE YEARS 0)

H-INDEX

(FIVE YEARS 0)

Published By Springer Berlin Heidelberg

9783642249679, 9783642249686

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2011_210 ◽

2011 ◽

pp. 181-200

Author(s):

Jake L. Rafferty ◽

J. Ilja Siepmann ◽

Mark R. Schure

Keyword(s):

Monte Carlo ◽

Molecular Simulations ◽

Multiple Time ◽

Length Scales ◽

Monte Carlo Techniques

Download Full-text

Nanoscale Wetting Under Electric Field from Molecular Simulations

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2011_188 ◽

2011 ◽

pp. 155-179 ◽

Cited By ~ 21

Author(s):

Christopher D. Daub ◽

Dusan Bratko ◽

Alenka Luzar

Keyword(s):

Electric Field ◽

Molecular Simulations

Download Full-text

Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2011_164 ◽

2011 ◽

pp. 201-249 ◽

Cited By ~ 18

Author(s):

Gabriela Guevara-Carrion ◽

Hans Hasse ◽

Jadran Vrabec

Keyword(s):

Thermodynamic Properties ◽

Chemical Industry ◽

Force Fields

Download Full-text

Coarse-Grained Modeling for Macromolecular Chemistry

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2010_122 ◽

2011 ◽

pp. 295-321 ◽

Cited By ~ 42

Author(s):

Hossein Ali Karimi-Varzaneh ◽

Florian Müller-Plathe

Keyword(s):

Coarse Grained ◽

Macromolecular Chemistry

Download Full-text

Dynamic QM/MM: A Hybrid Approach to Simulating Gas-Liquid Interactions

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2011_130 ◽

2011 ◽

pp. 43-67 ◽

Cited By ~ 8

Author(s):

Scott Yockel ◽

George C. Schatz

Keyword(s):

Hybrid Approach

Download Full-text

Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2011_168 ◽

2011 ◽

pp. 251-294 ◽

Cited By ~ 5

Author(s):

Luigi Delle Site ◽

Christian Holm ◽

Nico F. A. van der Vegt

Keyword(s):

Aqueous Electrolytes

Download Full-text

Multiscale Modelling in Computational Heterogeneous Catalysis

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2011_128 ◽

2011 ◽

pp. 69-107 ◽

Cited By ~ 35

Author(s):

F. J. Keil

Keyword(s):

Heterogeneous Catalysis ◽

Multiscale Modelling

Download Full-text

First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2010_114 ◽

2011 ◽

pp. 1-42 ◽

Cited By ~ 5

Author(s):

Andres Jaramillo-Botero ◽

Robert Nielsen ◽

Ravi Abrol ◽

Julius Su ◽

Tod Pascal ◽

...

Keyword(s):

Molecular Mechanics ◽

First Principles ◽

Chemical Processes ◽

Complex Chemical

Download Full-text

Real-World Predictions from Ab Initio Molecular Dynamics Simulations

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry ◽

10.1007/128_2011_195 ◽

2011 ◽

pp. 109-153 ◽

Cited By ~ 59

Author(s):

Barbara Kirchner ◽

Philipp J. di Dio ◽

Jürg Hutter

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Real World ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

Download Full-text

Multiscale Molecular Methods in Applied Chemistry - Topics in Current ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Berlin Heidelberg

Molecular Simulations of Retention in Chromatographic Systems: Use of Biased Monte Carlo Techniques to Access Multiple Time and Length Scales

Nanoscale Wetting Under Electric Field from Molecular Simulations

Thermodynamic Properties for Applications in Chemical Industry via Classical Force Fields

Coarse-Grained Modeling for Macromolecular Chemistry

Dynamic QM/MM: A Hybrid Approach to Simulating Gas-Liquid Interactions

Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes

Multiscale Modelling in Computational Heterogeneous Catalysis

First-Principles-Based Multiscale, Multiparadigm Molecular Mechanics and Dynamics Methods for Describing Complex Chemical Processes

Real-World Predictions from Ab Initio Molecular Dynamics Simulations

Multiscale Molecular Methods in Applied Chemistry - Topics in Current Chemistry
Latest Publications