标题
Control of chemical reactivity by transition-state and beyond
作者
关键词
-
出版物
Chemical Science
Volume 7, Issue 7, Pages 3992-4003
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-04-13
DOI
10.1039/c6sc01066k
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional state-to-state quantum dynamics investigation
- (2016) Shu Liu et al. Chemical Science
- Prediction of mode specificity in 1,3-dipolar cycloadditions using the Sudden Vector Projection model
- (2015) Anyang Li et al. CHEMICAL PHYSICS LETTERS
- Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods
- (2015) Yan Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Effect of CH stretching excitation on the reaction dynamics of F + CHD3 → DF + CHD2
- (2015) Jiayue Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal
- (2015) Bin Zhao et al. JOURNAL OF CHEMICAL PHYSICS
- A full-dimensional quantum dynamics study of the mode specificity in the H + HOD abstraction reaction
- (2015) Bina Fu et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Vibrational-induced steric effects in bimolecular reactions
- (2015) Kopin Liu JOURNAL OF CHEMICAL PHYSICS
- A Quasiclassical Study of the F(2P) + CHD3 (ν1 = 0,1) Reactive System on an Accurate Potential Energy Surface
- (2015) Juliana Palma et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Full-Dimensional Quantum Dynamical Studies of the Cl + HOD → HCl/DCl + OD/OH Reaction: Bond Selectivity and Isotopic Branching Ratio
- (2015) Hongwei Song et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction
- (2015) Zhaojun Zhang et al. JOURNAL OF PHYSICAL CHEMISTRY A
- From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O(3P)] Reactions
- (2015) Jun Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Vibrational and Rotational Mode Specificity in The Cl + H2O → HCl + OH Reaction: A Quantum Dynamical Study
- (2015) Hongwei Song et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Imaging the Effect of Reactant Rotations on the Dynamics of the Cl + CHD3(v1 = 1, |J,K⟩) Reaction
- (2015) Fengyan Wang et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quasiclassical Trajectory Study on the Role of CH-Stretching Vibrational Excitation in the F(2P) + CHD3(v1=0,1) Reactions
- (2015) J. Espinosa-Garcia JOURNAL OF PHYSICAL CHEMISTRY A
- Mode Specificity in the HCl + OH → Cl + H2O Reaction: Polanyi’s Rules vs Sudden Vector Projection Model
- (2015) Hongwei Song et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Reactive and Nonreactive Feshbach Resonances Accessed by Photodetachment of FH2O–
- (2015) Jianyi Ma et al. Journal of Physical Chemistry Letters
- Loss of Memory in H + CH4 → H2 + CH3 State-to-State Reactive Scattering
- (2015) Ralph Welsch et al. Journal of Physical Chemistry Letters
- Modulations of Transition-State Control of State-to-State Dynamics in the F + H2O → HF + OH Reaction
- (2015) Bin Zhao et al. Journal of Physical Chemistry Letters
- State-to-State Mode Specificity: Energy Sequestration and Flow Gated by Transition State
- (2015) Bin Zhao et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Insights into the bond-selective reaction of Cl + HOD(nOH) → HCl + OD
- (2015) Jun Li et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The Sudden Vector Projection Model for Reactivity: Mode Specificity and Bond Selectivity Made Simple
- (2014) Hua Guo et al. ACCOUNTS OF CHEMICAL RESEARCH
- Steric Effects in the Cl+CHD3(v1=1) Reaction
- (2014) Fengyan Wang et al. CHINESE JOURNAL OF CHEMICAL PHYSICS
- Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H2/D2 + OH → H/D + H2O/HOD
- (2014) Bin Zhao et al. JOURNAL OF CHEMICAL PHYSICS
- How to measure a complete set of polarization-dependent differential cross sections in a scattering experiment with aligned reagents?
- (2014) Fengyan Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets
- (2014) Bin Zhao et al. JOURNAL OF CHEMICAL PHYSICS
- Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction
- (2014) Rui Liu et al. JOURNAL OF CHEMICAL PHYSICS
- Reaction Dynamics of Methane with F, O, Cl, and Br on ab Initio Potential Energy Surfaces
- (2014) Gábor Czakó et al. JOURNAL OF PHYSICAL CHEMISTRY A
- How Is C–H Vibrational Energy Redistributed in F + CHD3(ν1 = 1) → HF + CD3?
- (2014) Jiayue Yang et al. Journal of Physical Chemistry Letters
- Mode Specificity, Bond Selectivity, and Product Energy Disposal in X + CH4/CHD3(X=H, F, O(3P), Cl, and OH) Hydrogen Abstraction Reactions: Perspective from Sudden Vector Projection Model
- (2014) Bin Jiang et al. JOURNAL OF THE CHINESE CHEMICAL SOCIETY
- Imaging Dynamics on the F + H2O -> HF + OH Potential Energy Surfaces from Wells to Barriers
- (2014) R. Otto et al. SCIENCE
- Communication: Covalent nature of X⋯H2O (X = F, Cl, and Br) interactions
- (2013) Jun Li et al. JOURNAL OF CHEMICAL PHYSICS
- Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction
- (2013) Jun Li et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Selection rules for tunneling splitting of vibrationally excited levels
- (2013) Willem Siebrand et al. JOURNAL OF CHEMICAL PHYSICS
- Mode-specific tunneling using the Qim path: Theory and an application to full-dimensional malonaldehyde
- (2013) Yimin Wang et al. JOURNAL OF CHEMICAL PHYSICS
- Mode specificity in the H + H2O → H2 + OH reaction: A full-dimensional quantum dynamics study
- (2013) Bina Fu et al. JOURNAL OF CHEMICAL PHYSICS
- Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model
- (2013) Bin Jiang et al. JOURNAL OF CHEMICAL PHYSICS
- Quasiclassical Trajectory Studies of the O(3P) + CX4(vk = 0, 1) → OX(v) + CX3(n1n2n3n4) [X = H and D] Reactions on an Ab Initio Potential Energy Surface
- (2013) Gábor Czakó et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Imaging the Effects of Bend-Excitation in the F + CD4(vb=0,1) → DF(v) + CD3(v2=1,2) Reactions
- (2013) Fengyan Wang et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Vibrational Enhancement Factor of the Cl + CHD3(v1 = 1) Reaction: Rotational-Probe Effects
- (2013) Fengyan Wang et al. Journal of Physical Chemistry Letters
- 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
- Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H2O (X = H, F, O(3P), and Cl) Reactions
- (2013) Bin Jiang et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Multireference explicitly correlated F12 theories
- (2013) Toru Shiozaki et al. MOLECULAR PHYSICS
- On the signal depletion induced by stretching excitation of methane in the reaction with the F atom
- (2013) Yuan Cheng et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Imaging the effects of the antisymmetric stretch excitation of CH4 in the reaction with F atom
- (2012) Hiroshi Kawamata et al. FARADAY DISCUSSIONS
- Quantum dynamics of complex-forming bimolecular reactions
- (2012) H. Guo INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- 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
- State-to-state reaction probabilities within the quantum transition state framework
- (2012) Ralph Welsch et al. JOURNAL OF CHEMICAL PHYSICS
- An eight-dimensional quantum mechanical Hamiltonian for X + YCZ3 system and its applications to H + CH4 reaction
- (2012) Rui Liu et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Cl(2P, 2P3/2) + CH4 → HCl + CH3 and H + CH3Cl reactions
- (2012) Gábor Czakó 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
- Revealing the stereospecific chemistry of the reaction of Cl with aligned CHD3(ν1 = 1)
- (2012) Fengyan Wang et al. Nature Chemistry
- 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
- Enhancement of bimolecular reactivity by a pre-reaction van der Waals complex: the case of F + H2O → HF + HO
- (2012) Jun Li et al. Chemical Science
- Imaging the Reaction Dynamics of O(3P)+CH4→OH+CH3
- (2011) Jinghui Zhang et al. Chemistry-An Asian Journal
- Ab initio potential energy surface and quantum dynamics for the H + CH4 → H2 + CH3 reaction
- (2011) Yong Zhou et al. JOURNAL OF CHEMICAL PHYSICS
- Effects of reagent vibrational excitation on the dynamics of the H + CHD3 → H2 + CD3 reaction: A seven-dimensional time-dependent wave packet study
- (2011) Yong Zhou et al. JOURNAL OF CHEMICAL PHYSICS
- Experimental Signatures for a Resonance-Mediated Reaction of Bend-Excited CD4(vb = 1) with Fluorine Atoms
- (2011) Fengyan Wang et al. Journal of Physical Chemistry Letters
- Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD + OH -> H2O + D
- (2011) C. Xiao et al. SCIENCE
- Steric Control of the Reaction of CH Stretch-Excited CHD3 with Chlorine Atom
- (2011) F. Wang et al. SCIENCE
- Communication: Experimental and theoretical investigations of the effects of the reactant bending excitations in the F+CHD3 reaction
- (2010) Gábor Czakó et al. JOURNAL OF CHEMICAL PHYSICS
- A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4→H2+CH3 reaction studied in full dimensionality
- (2010) Gerd Schiffel et al. JOURNAL OF CHEMICAL PHYSICS
- Dynamics of 1,3-Dipolar Cycloadditions: Energy Partitioning of Reactants and Quantitation of Synchronicity
- (2010) Lai Xu et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Deciphering the nature of the reactive resonance in F + CHD3: correlated differential cross-sections of the two isotopic channels
- (2010) Jingang Zhou et al. MOLECULAR PHYSICS
- Enlarging the reactive cone of acceptance by exciting the C–H bond in the O(3P) + CHD3 reaction
- (2010) Fengyan Wang et al. Chemical Science
- Dynamics of 1,3-Dipolar Cycloaddition Reactions of Diazonium Betaines to Acetylene and Ethylene: Bending Vibrations Facilitate Reaction
- (2009) Lai Xu et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- 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
- The hydrogen abstraction reaction H+CH[sub 4]. I. New analytical potential energy surface based on fitting to ab initio calculations
- (2009) Jose C. Corchado 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
- Bent out of shape
- (2009) George L. Barnes et al. Nature Chemistry
- CH Stretching Excitation in the Early Barrier F + CHD3 Reaction Inhibits CH Bond Cleavage
- (2009) W. Zhang et al. SCIENCE
- Crossed jet reactive scattering dynamics of F+H2O→HF(v,J)+OH:HF(v,J) product quantum state distributions under single-collision conditions
- (2008) Alexander M. Zolot et al. JOURNAL OF CHEMICAL PHYSICS
- Vibrational vs. translational energy in promoting a prototype metal-hydrocarbon insertion reaction
- (2008) D. L. Proctor et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Chemical dynamics of vibrationally excited molecules: Controlling reactions in gases and on surfaces
- (2008) F. F. Crim PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- A simple yet effective multipass reflector for vibrational excitation in molecular beams
- (2008) Jens Riedel et al. REVIEW OF SCIENTIFIC INSTRUMENTS
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