Quantum dynamics study of energy requirement on reactivity for the HBr + OH reaction with a negative-energy barrier
出版年份 2017 全文链接
标题
Quantum dynamics study of energy requirement on reactivity for the HBr + OH reaction with a negative-energy barrier
作者
关键词
-
出版物
Scientific Reports
Volume 7, Issue 1, Pages -
出版商
Springer Nature
发表日期
2017-01-10
DOI
10.1038/srep40314
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born–Oppenheimer Molecular Dynamics for OH + HBr
- (2016) Nayara D. Coutinho et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Dependence of the Four-Atom Reaction HBr + OH → Br + H2O on Temperatures between 20 and 2000 K
- (2015) J. Ree et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction
- (2015) Nayara D. Coutinho et al. Journal of Physical Chemistry Letters
- Communication: Ro-vibrational control of chemical reactivity in H+CH4→ H2+CH3 : Full-dimensional quantum dynamics calculations and a sudden model
- (2014) Ralph Welsch et al. JOURNAL OF CHEMICAL PHYSICS
- The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH4 → H2 + CH3 reaction
- (2014) Ralph Welsch et al. JOURNAL OF CHEMICAL PHYSICS
- Energy Disposal and Thermal Rate Constants for the OH + HBr and OH + DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface
- (2014) Antonio G. S. de Oliveira-Filho et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K
- (2014) Antonio G. S. de Oliveira-Filho et al. Journal of Physical Chemistry Letters
- Quantum Dynamics Study of Vibrational Excitation Effects and Energy Requirement on Reactivity for the O + CD4/CHD3 → OD/OH + CD3 Reactions
- (2013) Wei Yan et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F + H2O → HF + OH
- (2013) Jun Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- An ab initio based full-dimensional global potential energy surface for FH2O(X2A′) and dynamics for the F + H2O → HF + HO reaction
- (2012) Jun Li et al. JOURNAL OF CHEMICAL PHYSICS
- Mode Selectivity for a “Central” Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy Surface
- (2012) Rui Liu et al. Journal of Physical Chemistry Letters
- Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surface
- (2012) G. Czako et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Orientation dependence in the four-atom reaction of OH + HBr using the single-state oriented OH radical beam
- (2010) Po-Yu Tsai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Orientation dependence for Br formation in the reaction of oriented OH radical with HBr molecule
- (2010) Po-Yu Tsai et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4→HF+CH3 reaction
- (2009) Gábor Czakó et al. JOURNAL OF CHEMICAL PHYSICS
- CH Stretching Excitation Steers the F Atom to the CD Bond in the F + CHD3Reaction
- (2009) Gábor Czakó et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- CH Stretching Excitation in the Early Barrier F + CHD3 Reaction Inhibits CH Bond Cleavage
- (2009) W. Zhang et al. SCIENCE
- An eight-degree-of-freedom quantum dynamics study of the isotopic effect on the reaction: HD+C2H
- (2008) Dunyou Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Negative collision energy dependence of Br formation in the OH + HBr reaction
- (2007) Dock-Chil Che et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search