Distributed multipole analysis

Known as: DMA 
In computational chemistry, distributed multipole analysis (DMA) is a compact and accurate way of describing the spatial distribution of electric… Expand
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2011
2011
Hydration free energy (HFE) is generally used for evaluating molecular solubility, which is an important property for… Expand
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2006
2006
It has long been known that accurate electrostatics is a key issue for improving current force fields for large-scale… Expand
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Highly Cited
2003
Highly Cited
2003
A new classical empirical potential is proposed for water. The model uses a polarizable atomic multipole description of… Expand
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2001
2001
The geometries of all possible Si‐O(H)‐Al Bronsted centres within five hydrogen form (H-form) aluminosilicate frameworks, ABW… Expand
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2000
2000
A formula to calculate the charge penetration energy that results when two charge densities overlap has been derived for… Expand
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1998
1998
The long-standing discrepancy between the Gerasimov-Drell-Hearn sum rule and the analysis of pion photoproduction multipoles is… Expand
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1997
1997
An attractive way to study intermolecular hydrogen bonding is to combine analysis of experimental crystallographic data with ab… Expand
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1995
1995
SummaryThe electrostatic properties of adenosine-based agonists and xanthine-based antagonists for the adenosine A1 receptor were… Expand
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1994
1994
A method is presented for calculating the total electrostatic interaction energies between molecules from ab initio monomer wave… Expand
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