位置：成果数据库 > 期刊 > 期刊详情页
Efficient quantum calculation of the vibrational states of acetylene
  • 期刊名称：Chemical Physics(DOI:10.1016/j.chemphys.2012.01.01
  • 时间：0
  • 页码：1-17
  • 语言：英文
  • 相关项目：基于化学反应高维、耦合势能面的态-态动力学
作者： Zhang Zhijun|Bian Wensheng|Shen Zhitao|Li Bin|Ren Yinghui|
同期刊论文项目
基于化学反应高维、耦合势能面的态-态动力学
期刊论文 29 会议论文 13
同项目期刊论文
化学反应的高精度从头算势能面
Anharmonic RRKM Calculation for the Dissociation of (H2O)(2)H+ and Its Deuterated Species (D2O)(2)D+
Double Ionization of Nitrogen from Multiple Orbitals
Photodissociation and photoisomerization dynamics of CH2=CHCHO in solution
A theoretical study on the reaction mechanisms of O(3P)+l-butene
Competitive reaction pathways of C2Cl3 + NO via four-membered ring and bicyclic ring intermediates
Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energy surface
New ab Initio Potential Energy Surfaces for the Renner-Teller Coupled 1 1 A' and 1 1 A'' States of C
Photodissociation of acryloyl chloride in the gas phase
丙烯酰氯分子的气相光解动力学
Accurate Quantum Dynamics Study on the Resonance Decay of Vinylidene
Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfu
Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2
Quasiclassical trajectory study of the SiH4+H -> SiH3+H-2 reaction on a global 12-dimensional ab
Reaction Mechanisms of C2Cl3 + NO2 via Nitro and Nitrite Adducts
Reaction of C2HCl2+O2: Combined TR-FTIR Spectroscopy and Electronic Structure
Reaction Mechanisms of a Photo-Induced [1,3] Sigmatropic Rearrangement via a Nonadiabatic Pathway
Adiabatic and Nonadiabatic Reaction Pathways of the O(3P) with Propyne
Reaction of C2HCl2+O-2: Combined TR-FTIR Spectroscopy and Electronic Structure
Time-Resolved FTIR Study on the Reaction of CHCl2 with NO2
Full-dimensional quantum dynamics study of vinylidene-acetylene isomerization: A scheme using the no