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Force field (chemistry)

Known as: Force field, Force field chemistry 
In the context of molecular modeling, a force field (a special case of energy functions or interatomic potentials; not to be confused with force… Expand
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Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Review
2016
Review
2016
The fact that a new text book introducing the essentials of computational chemistry contains more than 500 pages shows… Expand
Highly Cited
2003
Highly Cited
2003
To predict the structures, properties, and chemistry of materials involving silicon and silicon oxides; interfaces between these… Expand
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Highly Cited
2000
Highly Cited
2000
Empirical force-field calculations on biological molecules represent an effective method to obtain atomic detail information on… Expand
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Highly Cited
2000
Highly Cited
2000
A potential function is presented that can be used to model both chemical reactions and intermolecular interactions in condensed… Expand
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Highly Cited
1996
Highly Cited
1996
This article introduces MMFF94, the initial published version of the Merck molecular force field (MMFF). It describes the… Expand
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Highly Cited
1996
Highly Cited
1996
The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for… Expand
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Highly Cited
1994
Highly Cited
1994
Abstract : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral… Expand
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Highly Cited
1992
Highly Cited
1992
A new molecular mechanics force field, the Universal force field (UFF), is described wherein the force field parameters are… Expand
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Highly Cited
1990
Highly Cited
1990
We report the parameters for a new generic force field, DREIDING, that we find useful for predicting structures and dynamics of… Expand
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Highly Cited
1987
Highly Cited
1987
An algorithm is presented for the rapid evaluation of the potential and force fields in systems involving large numbers of… Expand
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