Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe-CS2 (vol 9, pg 20925, 2019)

Qin Miao; Xiao Xiuchan; Zhu Hua

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Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe-CS2 (vol 9, pg 20925, 2019)

机译：XE-CS2红外光谱预算AB初始能量表面的理论计算（Vol 9，PG 20925,2019）

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Correction for 'Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe-CS2' by Miao Qin et al., RSC Adv., 2019, 9, 20925-20930.

机译：纠正“XE-CS2”的全维索初始能量表面的理论计算和XE-CS2'的红外光谱预测。，RSC adv。，2019,9,20925-20930。

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《RSC Advances》 |2019年第39期|共1页
作者
Qin Miao; Xiao Xiuchan; Zhu Hua;
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Chengdu Technol Univ Sch Architectural &

Environm Engn Chengdu 611730 Sichuan Peoples R China;

Chengdu Technol Univ Sch Architectural &

Environm Engn Chengdu 611730 Sichuan Peoples R China;

Sichuan Univ Sch Chem Chengdu 610064 Sichuan Peoples R China;

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正文语种 eng
中图分类化学;
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1. Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe-CS2 (vol 9, pg 20925, 2019) [J] . Qin Miao, Xiao Xiuchan, Zhu Hua RSC Advances . 2019,第39期

机译：XE-CS2红外光谱预算AB初始能量表面的理论计算（Vol 9，PG 20925,2019）
2. Correction: Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe–CS2 [J] . Miao Qin, Xiuchan Xiao, Hua Zhu RSC Advances . 2019,第39期

机译：校正：全维索AB初始能量表面的理论计算和XE-CS2红外光谱预测
3. IR Spectra of (HCOOH)₂ and (DCOOH)₂: Experiment, VSCF/VCI, and Ab Initio Molecular Dynamics Calculations Using Full-Dimensional Potential and Dipole Moment Surfaces [J] . Chen Qu, Joel M. Bowman Journal of physical chemistry letters . 2018,第10期

机译：（HCOOH）_{2 和（DCOOH）_{2 ：实验，VSCF / VCI和AB ININIO MOLICUCLICICS计算使用全维潜力和偶极矩表面}}
4. Calculation of thermal contrasts and potentials of the infrared images in spectral ranges 3...5μm and 8...14μm at the availability and in the absence of counterradiation of the environment [C] . A.N. Sviridovauthor_name/, SPIE-The International Society for Optical Engineering International conference on photoelectronics and night vision devices . 2003

机译：在频谱范围内的红外图像的热对比度和电位在可用性的情况下和环境中的情况下的频谱范围3 ......5μm和8 ...14μm
5. Investigation on the mechanism of wear of single crystal diamond tool in nanometric cutting of iron using molecular dynamics (MD) and the development of generalized potential energy surfaces (GPES) based on ab initio calculations . [D] . Narulkar, Rutuparna. 2009

机译：基于从头算的分子动力学（MD）研究铁纳米加工中单晶金刚石刀具的磨损机理以及广义势能面（GPES）的发展。
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7. Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe–CS2 [O] . Miao Qin, Xiuchan Xiao, Hua Zhu 2019

机译：XE-CS2的全维索AB初始能量表面的理论计算及红外光谱预测
8. Dynamics Calculations Based on ab initio Potential Energy Surfaces [R] . Truhlar, D. G., Brown, F. B., Schwenke, D. W., 1985

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Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe-CS2 (vol 9, pg 20925, 2019)

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