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Towards the polarization of DT molecules

โœ Scribed by S. Bouchigny; J.-P. Didelez

Book ID
103856387
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
185 KB
Volume
577
Category
Article
ISSN
0168-9002

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๐Ÿ“œ SIMILAR VOLUMES

The induced polarization of the water mo
The induced polarization of the water molecule
โœ Ibon Alkorta; Montse Bachs; Juan J. Perez ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 365 KB

The molecular polarization potential map (MPP) of the water molecule computed at the SCF level with a double zeta basis set with two sets of polarization functions was used as reference to assess the accuracy of the induced polarization description of various force fields. The MPP was computed on gr