Molecular Survey of Strongly and Weakly Interfacially Active Asphaltenes: An Intermolecular Force Field Approach

Energy & Fuels ◽

10.1021/acs.energyfuels.1c02266 ◽

2021 ◽

Author(s):

D. A. Ballard ◽

J. H. Pickering ◽

I. Rosbottom ◽

S. Tangparitkul ◽

K. J. Roberts ◽

...

Keyword(s):

Force Field ◽

Intermolecular Force ◽

Field Approach ◽

Molecular Survey

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The Importance of Electrostatic Interactions in the Stereoselective 1,3-Dipolar Cycloadditions of Nitrones to Chiral Allyl Ethers: An Experimental and Force Field Approach

European Journal of Organic Chemistry ◽

10.1002/(sici)1099-0690(199809)1998:9<1823::aid-ejoc1823>3.0.co;2-h ◽

1998 ◽

Vol 1998 (9) ◽

pp. 1823-1832 ◽

Author(s):

Rita Annunziata ◽

Maurizio Benaglia ◽

Mauro Cinquini ◽

Franco Cozzi ◽

Laura Raimondi

Keyword(s):

Force Field ◽

Electrostatic Interactions ◽

Dipolar Cycloadditions ◽

Field Approach ◽

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An intermolecular force field for chlorinated benzene crystals

Chemical Physics Letters ◽

10.1016/0009-2614(73)87076-9 ◽

1973 ◽

Vol 19 (1) ◽

pp. 117-119 ◽

Author(s):

H. Bonadeo ◽

E. D'Alessio

Keyword(s):

Force Field ◽

Intermolecular Force

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A Fundamental Study of Nano Electrodeposition Using a Combined Molecular Dynamics and Quantum Mechanical Electron Force Field Approach

Procedia Manufacturing ◽

10.1016/j.promfg.2017.07.054 ◽

2017 ◽

Vol 10 ◽

pp. 253-264 ◽

Author(s):

Anne M. Brant ◽

Murali Sundaram

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Quantum Mechanical ◽

Fundamental Study ◽

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Phonons in Chalcopyrite Crystals within the Force Field Approach

physica status solidi (b) ◽

10.1002/1521-3951(200004)218:2<411::aid-pssb411>3.0.co;2-d ◽

2000 ◽

Vol 218 (2) ◽

pp. 411-416 ◽

Author(s):

J. ?a?ewski ◽

K. Parlinski

Keyword(s):

Force Field ◽

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Multiscale Simulation of Wedge Nanoindentation Based on the Repulsive Force-field Approach

International Journal of Nonlinear Sciences and Numerical Simulation ◽

10.1515/ijnsns-2013-0117 ◽

2014 ◽

Vol 15 (5) ◽

Author(s):

Ying Li ◽

Yushan Ni

Keyword(s):

Force Field ◽

Multiscale Simulation ◽

Repulsive Force ◽

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Force field approach to the dynamic behavior of zirconocenedichlorides and titanocenedichlorides

10.1063/1.47713 ◽

1995 ◽

Author(s):

Markus Knickmeier ◽

Roland Mohr ◽

Gerhard Erker ◽

Udo Höweler

Keyword(s):

Force Field ◽

Dynamic Behavior ◽

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Towards the crystal structure of thymine: An intermolecular force field development and parallel global cluster optimizations

The Journal of Chemical Physics ◽

10.1063/1.5131754 ◽

2019 ◽

Vol 151 (24) ◽

pp. 244302 ◽

Author(s):

Adem Tekin

Keyword(s):

Crystal Structure ◽

Force Field ◽

Intermolecular Force ◽

Field Development ◽

Force Field Development ◽

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A general intermolecular force field based on tight-binding quantum chemical calculations

The Journal of Chemical Physics ◽

10.1063/1.4991798 ◽

2017 ◽

Vol 147 (16) ◽

pp. 161708 ◽

Author(s):

Stefan Grimme ◽

Christoph Bannwarth ◽

Eike Caldeweyher ◽

Jana Pisarek ◽

Andreas Hansen

Keyword(s):

Force Field ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Tight Binding ◽

Intermolecular Force

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Intermolecular force field and normal vibrations of polyethylene crystals

The Journal of Chemical Physics ◽

10.1063/1.437269 ◽

1979 ◽

Vol 70 (10) ◽

pp. 4797-4802 ◽

Author(s):

Masamichi Kobayashi

Keyword(s):

Force Field ◽

Intermolecular Force ◽

Normal Vibrations

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Improved intermolecular force field for molecules containing H, C, N, and O atoms, with application to nucleoside and peptide crystals

Journal of Computational Chemistry ◽

10.1002/jcc.1074 ◽

2001 ◽

Vol 22 (11) ◽

pp. 1154-1166 ◽

Author(s):

Donald E. Williams

Keyword(s):

Force Field ◽

Intermolecular Force

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