标题
Quantum dynamics of complex-forming bimolecular reactions
作者
关键词
-
出版物
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
Volume 31, Issue 1, Pages 1-68
出版商
Informa UK Limited
发表日期
2012-02-07
DOI
10.1080/0144235x.2011.649999
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。- Communication: A chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction
- (2012) Jun Li et al. JOURNAL OF CHEMICAL PHYSICS
- Full-dimensional quantum state resolved predissociation dynamics of HCO2 prepared by photodetaching HCO2−
- (2011) Jianyi Ma et al. CHEMICAL PHYSICS LETTERS
- Communication: New insight into the barrier governing CO2 formation from OH + CO
- (2011) Christopher J. Johnson et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate time dependent wave packet calculations for the N + OH reaction
- (2011) Niyazi Bulut et al. JOURNAL OF CHEMICAL PHYSICS
- Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: Coupled-channel calculations including Renner-Teller and Coriolis terms
- (2011) Paolo Defazio et al. JOURNAL OF CHEMICAL PHYSICS
- State-to-state quantum dynamics of the N(4S) + OH(X 2Π) → H(2S) + NO(X 2Π) reaction
- (2011) Changjian Xie et al. JOURNAL OF CHEMICAL PHYSICS
- A global ab initio potential energy surface for HNO (a3A″) and quantum mechanical studies of vibrational states and reaction dynamics
- (2011) Anyang Li et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: Competition between abstraction and exchange channels
- (2011) Zheng Li et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Highly accurate ozone formation potential and implications for kinetics
- (2011) Richard Dawes et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: State-to-state quantum dynamics study of the OH + CO → H + CO2 reaction in full dimensions (J = 0)
- (2011) Shu Liu et al. JOURNAL OF CHEMICAL PHYSICS
- State-to-State Quantum Dynamics Calculations of the C + OH Reaction on the Second Excited Potential Energy Surface
- (2011) M. Jorfi et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Coriolis coupling effects in the dynamics of deep well reactions: application to the H+ + D2 reaction
- (2011) M. Hankel PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Reaching the cold regime: S(1D) + H2 and the role of long-range interactions in open shell reactive collisions
- (2011) Manuel Lara et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The O(1D) + H2 (X 1Σ+, v, j) → OH(X 2Π, v′, j′) + H(2S) reaction at low collision energy: when a simple statistical description of the dynamics works
- (2011) A. Rivero-Santamaría et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Observation of partial wave structures in the integral cross section of the S(1D2) + H2(j = 0) reaction
- (2011) Manuel Lara et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Anatomy of the S(1D) + H2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations
- (2011) M. Hankel et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- State-to-state quantum dynamics of the H(2S) + O2(ã1Δg) → O(3P)+OH(X̃2Π) reaction on the first excited state of HO2(Ã2A′)
- (2011) Jianyi Ma et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- High-dimensional ab initio potential energy surfaces for reaction dynamics calculations
- (2011) Joel M. Bowman et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Revealing Atom-Radical Reactivity at Low Temperature Through the N + OH Reaction
- (2011) J. Daranlot et al. SCIENCE
- Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD + OH -> H2O + D
- (2011) C. Xiao et al. SCIENCE
- Quantitative vibronic coupling calculations: the formyloxyl radical
- (2011) Kerstin Klein et al. THEORETICAL CHEMISTRY ACCOUNTS
- HOCO Radical Chemistry
- (2010) Joseph S. Francisco et al. ACCOUNTS OF CHEMICAL RESEARCH
- Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (Ã A2′) state of HO2
- (2010) Anyang Li et al. JOURNAL OF CHEMICAL PHYSICS
- Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H2 including the open-shell character of the Cl atom
- (2010) Zhigang Sun et al. JOURNAL OF CHEMICAL PHYSICS
- Measurement of the differential cross section of the photoinitiated reactive collision of O(D1)+D2 using only one molecular beam: A study by three dimensional velocity mapping
- (2010) S. Kauczok et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum dynamics of the C(D1)+HD and C(D1)+n−D2 reactions on the ã A1′ and b̃ A1″ surfaces
- (2010) Paolo Defazio et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum dynamics of the H+O2→O+OH reaction
- (2010) Goulven Quéméner et al. JOURNAL OF CHEMICAL PHYSICS
- State-to-state quantum dynamics of the O(P3)+OH(Π2)→H(S2)+O2(Σ3g−) reaction
- (2010) Jianyi Ma et al. JOURNAL OF CHEMICAL PHYSICS
- Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates
- (2010) Zhigang Sun et al. JOURNAL OF CHEMICAL PHYSICS
- Parallel implementation of an efficient preconditioned linear solver for grid-based applications in chemical physics. III: Improved parallel scalability for sparse matrix–vector products
- (2010) Wenwu Chen et al. JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING
- Accurate Potential Energy Surface for the 12A′ State of NH2: Scaling of External Correlation Versus Extrapolation to the Complete Basis Set Limit†
- (2010) Y. Q. Li et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Non-Born−Oppenheimer State-to-State Dynamics of the N(2D) + H2→ NH(X̃3Σ−) + H Reaction: Influence of the Renner−Teller Coupling†
- (2010) Shi Ying Lin et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Dissociative Photodetachment Studies of Cooled HOCO¯ Anions Revealing Dissociation Below the Barrier to H + CO2
- (2010) Christopher J. Johnson et al. Journal of Physical Chemistry Letters
- Dynamics of the C(1D)+H2reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (11A′ and 11A″) potential energy surfaces
- (2010) Nadia Balucani et al. MOLECULAR PHYSICS
- Influence of ro-vibrational and isotope effects on the dynamics of the C(3P)+ OD(X2Π) → CO(X1Σ+) + D(2S) reaction
- (2010) Mohamed Jorfi et al. MOLECULAR PHYSICS
- Exact and truncated Coriolis coupling calculations for the S(1D)+HD reaction employing the ground adiabatic electronic state
- (2010) Huan Yang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Kinetics and Dynamics of theS(D21)+H2→SH+HReaction at Very Low Temperatures and Collision Energies
- (2010) Coralie Berteloite et al. PHYSICAL REVIEW LETTERS
- Quantum wave packet study of the C(1D)+H2 reaction
- (2009) Jie Liu et al. CHEMICAL PHYSICS LETTERS
- Quasi-classical determination of integral cross-sections and rate constants for the N+OH→NO+H reaction
- (2009) M. Jorfi et al. CHEMICAL PHYSICS LETTERS
- Quasiclassical trajectory calculations of differential cross sections and product energy distributions for the N+OH→NO+H reaction
- (2009) Mohamed Jorfi et al. JOURNAL OF CHEMICAL PHYSICS
- NH(X3Σ)+H/D(S2)→H(S2)+NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model
- (2009) Zheng Li et al. JOURNAL OF CHEMICAL PHYSICS
- Effects of the rotational excitation of D2 and of the potential energy surface on the H++D2→HD+D+ reaction
- (2009) T. González-Lezana et al. JOURNAL OF CHEMICAL PHYSICS
- An ab initio global potential-energy surface for NH[sub 2](A[sup 2]A[sup ʹ]) and vibrational spectrum of the Renner–Teller A[sup 2]A[sup ʹ]-X[sup 2]A[sup ʺ] system
- (2009) Shulan Zhou et al. JOURNAL OF CHEMICAL PHYSICS
- Time-dependent wave packet and quasiclassical trajectory study of the C(P3)+OH(X Π2)→CO(X Σ1+)+H(S2) reaction at the state-to-state level
- (2009) Niyazi Bulut et al. JOURNAL OF CHEMICAL PHYSICS
- Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations
- (2009) Zhigang Sun et al. JOURNAL OF CHEMICAL PHYSICS
- Born–Oppenheimer quantum dynamics of the C(D1)+H2 reaction on the CH2 ã A11 and b̃ B11 surfaces
- (2009) Paolo Defazio et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit
- (2009) Y. Z. Song et al. JOURNAL OF CHEMICAL PHYSICS
- On the statistical behavior of the O+OH→H+O[sub 2] reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations
- (2009) Mohamed Jorfi et al. JOURNAL OF CHEMICAL PHYSICS
- O+OH→O2+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment
- (2009) F. Lique et al. JOURNAL OF 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
- Adiabatic and Nonadiabatic State-to-State Quantum Dynamics for O(1D) + H2(X1Σg+, υi=ji= 0) → OH(X2Π, υf,jf) + H(2S) Reaction†
- (2009) Shi Ying Lin et al. JOURNAL OF PHYSICAL CHEMISTRY A
- State-to-State Quantum Dynamical Study of the N + OH → NO + H Reaction
- (2009) M. Jorfi et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of Methylene†
- (2009) S. Joseph et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2Reaction†
- (2009) Zhigang Sun et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Assessing the Performance of Density Functional Theory for the Electronic Structure of Metal−Salens: The d6-Metals
- (2009) Tait Takatani et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Differential Cross Sections and Product Rotational Polarization in A + BC Reactions Using Wave Packet Methods: H++ D2and Li + HF Examples†
- (2009) A. Zanchet et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quantum Wave Packet Method for State-to-State Reactive Scattering Calculations on AB + CD → ABC + D Reactions†
- (2009) Marko T. Cvitaš et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Vibronic Structure of the Formyloxyl Radical (HCO2) via Slow Photoelectron Velocity-Map Imaging Spectroscopy and Model Hamiltonian Calculations†
- (2009) Etienne Garand et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quantum Dynamics at the State-to-State Level of the C + OH Reaction on the First Excited Potential Energy Surface†
- (2009) M. Jorfi et al. JOURNAL OF PHYSICAL CHEMISTRY A
- State-to-state reactive scattering using reactant–product decoupling
- (2009) Marko T Cvitaš et al. PHYSICA SCRIPTA
- Integral and differential cross sections for the S(1D)+HD reaction employing the ground adiabatic electronic state
- (2009) H. Yang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Effects of reactant rotational excitation on H + O2→ OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations
- (2009) Shi Ying Lin et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Study of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A″ and 14A″ excited states and non adiabatic couplings
- (2009) Alexandre Zanchet et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The dynamics of the H++ D2reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results
- (2009) P. G. Jambrina et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions
- (2009) Z. Sun et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- New Theoretical Results Concerning the Interstellar Abundance of Molecular Oxygen
- (2008) Donghui Quan et al. ASTROPHYSICAL JOURNAL
- Mechanistic insights into the H+O2→OH+O reaction from quasi-classical trajectory studies on a new ab initio potential energy surface
- (2008) György Lendvay et al. CHEMICAL PHYSICS
- Quantum dynamics of C(3P)+OH(X2Π)→H(2S)+CO(X1Σ+) reaction
- (2008) Shi Ying Lin et al. CHEMICAL PHYSICS LETTERS
- Quasiclassical trajectory scattering calculations for the OH+O→H+O2 reaction: Cross sections and rate constants
- (2008) M. Jorfi et al. CHEMICAL PHYSICS LETTERS
- DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions
- (2008) Marlies Hankel et al. COMPUTER PHYSICS COMMUNICATIONS
- Time-dependent and time-independent wavepacket approaches to reactive scattering and photodissociation dynamics
- (2008) Gabriel G. Balint-Kurti INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Long-range multipolar potentials of the 18 spin-orbit states arising from the C(P3)+OH(X Π2) interaction
- (2008) Béatrice Bussery-Honvault et al. JOURNAL OF CHEMICAL PHYSICS
- A new ab initio potential-energy surface for NH2(XA″2) and quantum studies of NH2 vibrational spectrum and rate constant for the N(D2)+H2→NH+H reaction
- (2008) Shulan Zhou et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum dynamics of the O+OH→H+O2 reaction at low temperatures
- (2008) Goulven Quéméner et al. JOURNAL OF CHEMICAL PHYSICS
- On the dynamics of the H++D2(v=0,j=0)→HD+D+ reaction: A comparison between theory and experiment
- (2008) Estela Carmona-Novillo et al. JOURNAL OF CHEMICAL PHYSICS
- Energy dependence of differential and integral cross sections for O(D1)+H2(υi=0,ji=0)→OH(υf,jf)+H reaction
- (2008) Shi Ying Lin et al. JOURNAL OF CHEMICAL PHYSICS
- Differential cross sections and product energy distributions for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method
- (2008) Alexandre Zanchet et al. JOURNAL OF CHEMICAL PHYSICS
- Renner–Teller coupled-channel dynamics of the N(D2)+H2 reaction and the role of the NH2 Ã A21 electronic state
- (2008) Pablo Gamallo et al. JOURNAL OF CHEMICAL PHYSICS
- A comparison of quantum and quasiclassical statistical models for reactions of electronically excited atoms with molecular hydrogen
- (2008) F. J. Aoiz et al. JOURNAL OF CHEMICAL PHYSICS
- Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces
- (2008) Pedro Bargueño et al. JOURNAL OF CHEMICAL PHYSICS
- Theoretical determination of rate constants for vibrational relaxation and reaction of OH(XΠ2,v=1) with O(P3) atoms
- (2008) Jacek A. Kłos et al. JOURNAL OF CHEMICAL PHYSICS
- Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions
- (2008) Richard Dawes et al. JOURNAL OF CHEMICAL PHYSICS
- Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface
- (2008) Shi Ying Lin et al. JOURNAL OF CHEMICAL PHYSICS
- Fully Coriolis-Coupled Quantum Studies of the H + O2(υi= 0−2,ji= 0,1) → OH + O Reaction on an Accurate Potential Energy Surface: Integral Cross Sections and Rate Constants
- (2008) Shi Ying Lin et al. JOURNAL OF PHYSICAL CHEMISTRY A
- State-to-State Dynamics of H + O2Reaction, Evidence for Nonstatistical Behavior
- (2008) Zhigang Sun et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- AN ACCURATE QUANTUM DYNAMICS STUDY OF THE N+OH REACTION
- (2008) MEI-HUA GE et al. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
- Theoretical studies on bimolecular reaction dynamics
- (2008) D. C. Clary PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The Extent of Non-Born-Oppenheimer Coupling in the Reaction of Cl(2P) with para-H2
- (2008) X. Wang et al. SCIENCE
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now