Comment on "Uncertainties in scaling factors for ab initio vibrational zero-point energies" [J. Chem. Phys. 130, 114102 (2009)] and "Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional" [J. Chem. Phys. 133, 114109 (2010)]

被引：10

作者：

Pernot, Pascal ^{[1
,2
]}

Cailliez, Fabien ^{[1
]}

机构：

[1] Univ Paris 11, Chim Phys Lab, F-91405 Orsay, France

[2] CNRS, UMR8000, F-91405 Orsay, France

来源：

JOURNAL OF CHEMICAL PHYSICS | 2011年 / 134卷 / 16期

关键词：

D O I：

10.1063/1.3581022

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

页数：2

共 6 条

[1] Response to "Comment on 'Uncertainties in scaling factors for ab initio vibrational zero-point energies' and 'Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional'" [J. Chem. Phys. 134, 167101 (2011)]
Irikura, Karl K.
Johnson, Russell D., III
Kacker, Raghu N.
Kessel, Ruediger
JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (16):
[2] Comment on "Ab initio molecular dynamics calculation of ion hydration free energies" [J. Chem. Phys. 130, 204507 (2009)]
Chen, Edward S.
Chen, Edward C. M.
JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (04):
[3] Response to "Comment on 'Ab initio molecular dynamics calculation of ion hydration free energies' [J. Chem. Phys. 133, 047103 (2010)]"
Rempe, Susan B.
Leung, Kevin
JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (04):
[4] Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional
Teixeira, Filipe
Melo, Andre
Cordeiro, M. Natalia D. S.
JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (11):
[5] Comment on "Positive semidefinite tensor factorizations of the two-electron integral matrix for low-scaling ab initio electronic structure" [J. Chem. Phys. 143, 064103 (2015)]
Parrish, Robert M.
Hohenstein, Edward G.
Martinez, Todd J.
JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (02):
[6] Comment on "Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands" [J. Chem. Phys. 140, 094301 (2014)]
Diaz-Tinoco, Manuel
Ortiz, J. V.
JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (14):

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