Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials

标题
Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 8, Issue 8, Pages 2844-2867
出版商
American Chemical Society (ACS)
发表日期
2012-07-04
DOI
10.1021/ct3002199

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