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)]

Pernot P.; Cailliez F.

首页> 外文期刊>The Journal of Chemical Physics >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)]

【24h】

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)]

机译：从头算振动零点能量的比例因子不确定性评述[J．化学物理130、114102（2009）]和校准集以及振动比例因子的准确性：以X3LYP混合功能为例的案例研究[J.化学物理133，114109（2010）

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

页面导航

著录项
相似文献
相关主题

著录项

来源
《The Journal of Chemical Physics》 |2011年第16期|共2页
作者
Pernot P.; Cailliez F.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献

1. 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)] [J] . Pernot P., Cailliez F. The Journal of Chemical Physics . 2011,第16期

机译：从头算振动零点能量的比例因子不确定性评述[J．化学物理130、114102（2009）]和校准集以及振动比例因子的准确性：以X3LYP混合功能为例的案例研究[J.化学物理133，114109（2010）
2. 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)] [J] . Teixeira F., Melo A., Cordeiro M.N.D.S. The Journal of Chemical Physics . 2011,第16期

机译：对“从头算振动零点能量和校准集的比例因子不确定性的评论”的回应：振动比例因子的准确性：以X3LYP混合函数为例的案例研究[J.化学物理134，167101（2011）]
3. Erratum: “Uncertainties in scaling factors for ab initio vibrational zero-point energies” [J. Chem. Phys. 130, 114102 (2009)] [J] . Karl K. Irikura, Russell D. Johnson III, Raghu N. Kacker, The Journal of Chemical Physics . 2009,第16期

机译：勘误：“从头算起的振动零点能量的比例因子不确定性” [J.化学物理130，114102（2009）]
4. Publisher’s Note: Vibrational coherence and energy transfer in two-dimensional spectra with the optimized mean-trajectory approximation J. Chem. Phys. 142 212417 (2015) [O] . Mallory Alemi, Roger F. Loring -1

机译：出版者的注释：具有最佳平均轨迹近似的二维光谱中的振动相干性和能量传递 J.化学物理142212417（2015）
5. 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) [O] . Pascal Pernot, Fabien Cailliez 2011

机译：评论“AB初始振动零点能量的扩展因子的不确定性”J。化学。物理。 130,114102（2009）和“校准组和振动缩放因子的准确性：用X3Lyp混合函数的案例研究”J。化学。物理。 133,114109（2010）

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)]

著录项

相似文献

相关主题

期刊订阅