Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons (vol 4, pg 2030, 2008)

被引：3

|

作者：

Peverati, Roberto

Baldridge, Kim K.

机构：

来源：

JOURNAL OF CHEMICAL THEORY AND COMPUTATION | 2010年 / 6卷 / 06期

关键词：

D O I：

10.1021/ct1002187

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

收藏

页码：1924 / 1924

页数：1

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[1] Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons
Peverati, Roberto
Baldridge, Kim K.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2008, 4 (12) : 2030 - 2048
[2] Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in Solution
Peverati, Roberto
Baldridge, Kim K.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2009, 5 (10) : 2772 - 2786
[3] A post-SCF complete basis set study on the recognition patterns of uracil and cytosine by aromatic and π-aromatic stacking interactions with amino acid residues (vol 10, pg 2636, 2008)
Cysewski, Piotr
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (48) : 7329 - 7329