位置：成果数据库 > 期刊 > 期刊详情页
A new potential energy surface and predicted infrared spectra of the Ar-CO2 van der Waals complex
  • ISSN号：0021-9606
  • 期刊名称：Journal of Chemical Physics
  • 时间：0
  • 页码：6042-6050
  • 语言：英文
  • 相关项目：原子分子系统量子动力学有效近似理论方法及其应用研究
作者： Cui, Yali|Ran, Hong|Xie, Daiqian|
同期刊论文项目
原子分子系统量子动力学有效近似理论方法及其应用研究
期刊论文 81
同项目期刊论文
Generalized Liouville time-dependent perturbation theory
Molecular dynamics study on the vibrational energy relaxation of O-D stretch of HOD in liquid H2O
Kinetics and thermodynamics of electron transfer in debye solvents: An analytical and nonperturbativ
Cooperative molecular chirality
Quantum dynamics of the H+O-2 -> O+OHreaction on an accurate Ab initio potential energy surface
First-principles study of K and cs adsorbed on Pd(111)
Probing Feshbach resonances in F+H-2(j=1)-> HF+H: Dynamical effect of single quantum H-2-rotation
Revelation of non-statistical behavior in HO2 vibration by a new ab initio potential energy surface
A three-dimensional ab initio potential energy surface and predicted infrared spectra for the He-N2O
Observation of Feshbach resonances in the F+H-2 -> HF+H reaction
Ab initio potential energy surface and predicted microwave spectra for Ar-OCS dimer and structures o
A new time evolving Gaussian series representation of the imaginary time propagator
Theoretical emission spectra of HNC((A)over-cap(1)A") on a new ab initio potential energy surface
New theoretical results concerning the interstellar abundance of molecular oxygen
固态氢分子基质隔离高分辨光谱实验装置及其应用
Active-Site Dynamics of SpvC Virulence Factor from Salmonella typhimurium and Density Functional The
NH(X-3 Sigma)+H/D(S-2)-> H(S-2) plus NH/ND(X-3 Sigma) exchange reactions: State-to-state quantum sca
Active Site Cysteine Is Protonated in the PAD4 Michaelis Complex: Evidence from Born-Oppenheimer Ab
Ab Initio Potential Energy Surfaces for the Ground ((X)over-tilde(1)A ') and Excited ((A)over-tilde(
The 559-to-600 nm shift observed in red fluorescent protein eqFP611 is attributed to cis-trans isome
An ab initio global potential-energy surface for NH2(A(2)A(')) and vibrational spectrum of the Renne
N2O in Small Para-Hydrogen Clusters: Structures and Energetics
Hierarchical quantum master equation with semiclassical Drude dissipation
Electronic excitations of green fluorescent proteins: Modeling solvatochromatic shifts of red fluore
Differential and integral cross sections for the H+O-2 -> OH+O combustion reaction
Five-dimensional ab initio potential energy surface and predicted infrared spectra of H-2-CO2 van de
Rate constant for OH((2)Pi)+O(P-3)-> H(S-2)+O-2((3)Sigma(-)(g)) reaction on an improved ab initio po
Dynamical resonance in F+H-2 chemical reaction and rotational excitation effect
Excited state radiationless decay process with Duschinsky rotation effect: Formalism and implementat
Toward quantitative prediction of molecular fluorescence quantum efficiency: Role of Duschinsky rota
Numerical study of vibrational energy relaxation of O-H bending in liquid H2O
A theoretical investigation on the geometry and vibrational spectra of 10,10,2,6,5-pentamethyl-1-hyd
A DFT investigation of sulfur adsorption on Ir(100)
Analysis of the HO2 vibrational spectrum on an accurate ab initio potential energy surface
First-principles study of adsorption of CN on Cu(111)
Potential energy surfaces and predicted infrared spectra for van der Waals complexes: dependence on
The quantum solvation, adiabatic versus nonadiabatic, and Markovian versus non-Markovian nature of e
Electron transfer theory revisit: Motional narrowing induced non-markovian rate processes
Dynamics of quantum dissipation systems interacting with fermion and boson grand canonical bath ense
Dynamics of quantum dissipation systems interacting with bosonic canonical bath: Hierarchical equati
Theoretical studies of (CB2)-B-1 absorption spectra of SO2 isotoporners
Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis
Theoretical studies on the potential energy surfaces and vibrational energy levels of HXeF and HXeCl
Molecular dynamics and density functional studies of substrate binding and catalysis of arginine dei
Global analytical potential energy surfaces for HO2((X)over-tilde(2)A '') based on high-level ab ini
Theoretical studies on the hydrolysis mechanism of N-(2-oxo-1,2-dihydro-pyrimidinyl) formamide
Stochastic fluctuations and chiral symmetry breaking: Exact solution of Lente model
2-（2-甲基烯丙基）-3-（3-甲基-1，2-丁二烯基）环己-2-烯酮重排生成八元环化合物反应机理的理论研究
F＋H2化学反应中的Feshbach共振之研究
Ab initio Study of Radical-Molecule Reaction： F＋CH2CHCH3
Quasi-classical Trajectory Study on the H^＋＋H2 Reaction
NH3在Ir{110}（1×2）表面吸附与解离的理论
Theoretical study of adsorption and dissociation of NH3 on the Ir{110}（1×2） surface
New ab initio Potential Energy Surfaces for Cl（^2P3/2,^2P1/2）＋H2 Reaction
反应体系F＋H2→HF＋H的一个全域从头算势能面
C2H2 Overtones Near 12300 cm^-1 Revisited with a Very Sensitive Cavity Ring-down Spectrometer
Dynamical resonance in F＋H2 chemical reaction and rotational excitation effect