位置：成果数据库 > 期刊 > 期刊详情页
Theoretical emission spectra of HNC((A)over-cap(1)A") on a new ab initio potential energy surfa
  • ISSN号：0009-2614
  • 期刊名称：Chemical Physics Letters
  • 时间：0
  • 页码：145-150
  • 语言：英文
  • 相关项目：分子动态学
作者： Field, Robert W.|Xu, Dingguo|Guo, Hua|Zhou, Shulan|Xie, Daiqian|
同期刊论文项目
分子动态学
期刊论文 57 会议论文 2 著作 1
同项目期刊论文
Non-Born-Oppenheimer State-to-State Dynamics of the N(D-2) + H-2 -> NH((X)over-tilde(3)Sigma(-)) + H
Effects of reactant rotational excitation on H + O-2 -> OH plus O reaction rate constant: quantum wa
NH(X-3 Sigma)+H/D(S-2)-> H(S-2) plus NH/ND(X-3 Sigma) exchange reactions: State-to-state quantum
Theoretical prediction of the noble gas complexes HeAuF and NeAuF
PROTONATION STATES AND CONFORMATIONAL FLEXIBILITY OF THE RED FLUORESCENT PROTEIN CHROMOPHORE
State-to-state quantum dynamics of the H((2)S) + O(2)((a)over-tilde(1)Delta(g)) -> O((3)P) + OH((X)o
Pathways for methanol steam reforming involving adsorbed formaldehyde and hydroxyl intermediates on
Communication: State-to-state differential cross sections for H(2)O((B)over-tilde) photodissociation
New ab initio coupled potential energy surfaces for the Br((2)P(3/2), (2)P(1/2)) + H(2) reaction
Simulated Annealing Study on Structures and Energetics of CO(2) in Argon Clusters
State-to-state quantum dynamics of the N((4)S) plus OH(X(2)Pi) -> H((2)S) plus NO(X(2)Pi) reaction
Theoretical study on the hydrolysis mechanism of N,N-dimethyl-N '-(2-oxo-1, 2-dihydro-pyrimidinyl)fo
A new ab initio potential-energy surface for NH2, (X(2)A ''). and quantum studies of NH2 vibrational
VIBRATIONALLY AVERAGED POTENTIAL ENERGY SURFACES AND PREDICTED INFRARED SPECTRA OF THE He-(OCO)-O-18
Theoretical investigation on rearrangement mechanism of 2-(2-methyiallyl)-3-(3-methylbnta-1, 2-dieny
A first-principles study of K adsorption on Pb(111)
Calculation of multiple initial state selected reaction probabilities from Chebyshev flux-flux corre
Intermolecular potential energy surface, microwave and infrared spectra of the Kr-CO(2) complex from
Pathways of Methanol Steam Reforming on PdZn and Comparison with Cu
Peptide Bond trans-cis Isomerization and Acylimine Formation in Chromophore Maturation of the Red Fl
Accurate quantum mechanical calculations of differential and integral cross sections and rate consta
Full-dimensional quantum dynamics of (A)over-tilde-state photodissociation of ammonia: Absorption sp
Computational study on 1,1,3,3-tetramethylguanidine-catalyzed cyanosilylation mechanism of hypnone
A new potential energy surface and predicted infrared spectra of He-CO2: Dependence on the antisymme
Ab initio potential energy surfaces for both the ground ((X)over-tilde(1)A ') and excited ((A)over-t
First-principles study of decomposition of NH3 on Ir(100)
A new ab initio potential-energy surface for NH2(X(2)A '') and quantum studies of NH2 vibrational sp
Path integral Monte Carlo study of CO2 solvation in He-4 clusters
Computational study on the aminolysis of beta-hydroxy-alpha,beta-unsaturated ester via the favorable
Theoretical studies on vibrational frequencies and decomposition channels of HXeBr
Mechanistic insights into the H+O-2 -> OH+O reaction from quasi-classical trajectory studies on a ne
Theoretical study of adsorption and dissociation of NH3 on the Ir{110}(1x2) surface
小分子光解动力学的理论研究
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