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。Capture of the Sulfur Monoxide-Hydroxyl Radical Complex
Changyun Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode
Yang Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
A new interpretation of the experimental data for the OH plus SO collision considering the recrossing reaction
Juan de Dios Garrido et al.
MOLECULAR PHYSICS (2020)
Accurate Global Potential Energy Surfaces for the H + CH3OH Reaction by Neural Network Fitting with Permutation Invariance
Dandan Lu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Quantitative Dynamics of the N2O + C2H2 → Oxadiazole Reaction: A Model for 1,3-Dipolar Cycloadditions
Yang Liu et al.
ACS OMEGA (2020)
Benchmarkab initiocharacterization of the abstraction and substitution pathways of the OH + CH4/C2H6reactions
Balazs Gruber et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
An accurate potential energy surface and ring polymer molecular dynamics study of the Cl + CH4 → HCl + CH3 reaction
Yang Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Comprehensive Investigations of the Cl
Dandan Lu et al.
CCS CHEMISTRY (2020)
Rate Coefficients and Branching Ratio for Multi-Channel Hydrogen Abstractions from CH3OH by F
Dan-dan Lu et al.
CHINESE JOURNAL OF CHEMICAL PHYSICS (2019)
Theoretical Study for the Ground Electronic State of the Reaction OH plus SO → H + SO2
Jie Qin et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2019)
Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CH3OH by F
Dandan Lu et al.
CHEMICAL SCIENCE (2019)
Anomalous kinetics of the reaction between OH and HO2 on an accurate triplet state potential energy surface
Yang Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Permutationally Invariant Potential Energy Surfaces
Chen Qu et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 69 (2018)
Combined Experimental-Theoretical Study of the OH plus CO → H + CO2 Reaction Dynamics
Adriana Caracciolo et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
A quasi-classical study of energy transfer in collisions of hyperthermal H atoms with SO2 molecules
Ramon S. da Silva et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy
Marissa L. Weichman et al.
NATURE CHEMISTRY (2017)
Quantum Chemical Rovibrational Analysis of the HOSO Radical
Ryan C. Fortenberry et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2017)
Potential energy surfaces from high fidelity fitting of ab initio points: the permutation invariant polynomial - neural network approach
Bin Jiang et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2016)
Large cross section for super energy transfer from hyperthermal atoms to ambient molecules
Jianqiang Ma et al.
PHYSICAL REVIEW A (2016)
Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
Jun Li et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
Jun Li et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Coupled-Cluster Study of the Lower Energy Region of the Ground Electronic State of the HSO2 Potential Energy Surface
Diana Rodriguez-Linares et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ⇆ HX plus OH [X = F, Cl, and O(3P)] Reactions
Jun Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface
Jun Li et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
A quasi-classical trajectory study of the OH plus SO reaction: the role of ro-vibrational energy
W. A. D. Pires et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems
Jun Li et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Permutation invariant polynomial neural network approach to fitting potential energy surfaces
Bin Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Spectroscopic Detection and Structure of Hydroxidooxidosulfur (HOSO) Radical, An Important Intermediate in the Chemistry of Sulfur-Bearing Compounds
Michael C. McCarthy et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Multireference explicitly correlated F12 theories
Toru Shiozaki et al.
MOLECULAR PHYSICS (2013)
Communication: A chemically accurate global potential energy surface for the HO+CO → H+CO2 reaction
Jun Li et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Quasi-Classical Trajectory Study of the HO+CO → H+CO2 Reaction on a New ab Initio Based Potential Energy Surface
Jun Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Connection between the Upper and Lower Energy Regions of the Potential Energy Surface of the Ground Electronic State of the HSO2 System
Gabriel N. Freitas et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Explicitly correlated multireference configuration interaction with multiple reference functions: Avoided crossings and conical intersections
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Explicitly correlated multireference configuration interaction: MRCI-F12
Toru Shiozaki et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
HOCO Radical Chemistry
Joseph S. Francisco et al.
ACCOUNTS OF CHEMICAL RESEARCH (2010)
A quasiclassical trajectory study of the OH plus SO reaction: The role of rotational energy
M. Y. Ballester et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization
Zhen Xie et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Permutationally invariant potential energy surfaces in high dimensionality
Bastiaan J. Braams et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2009)
Quasiclassical trajectory calculations of correlated product distributions for the F+CHD3(v1=0,1) reactions using an ab initio potential energy surface
Gabor Czako et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Simplified CCSD(T)-F12 methods: Theory and benchmarks
Gerald Knizia et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Heats of Formation of the H1,2OmSn (m, n=0-3) Molecules from Electronic Structure Calculations
Daniel J. Grant et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Thermochemistry of the HOSO Radical, a Key Intermediate in Fossil Fuel Combustion
Steven E. Wheeler et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
A simple and efficient CCSD(T)-F12 approximation
Thomas B. Adler et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Dynamics and kinetics of the H+SO2 reaction:: A theoretical study
M. Y. Ballester et al.
CHEMICAL PHYSICS LETTERS (2007)
Theoretical study of the reaction OH+SO → H+SO2
M. Y. Ballester et al.
CHEMICAL PHYSICS LETTERS (2007)
A coupled-cluster study of the HOSO and HSO2 radicals
B Napolion et al.
CHEMICAL PHYSICS LETTERS (2006)
Direct dynamics simulations
WL Hase et al.
COMPUTING IN SCIENCE & ENGINEERING (2003)
Inhibition and sensitization of fuel oxidation by SO2
MU Alzueta et al.
COMBUSTION AND FLAME (2001)
Ab initio study of the atmospheric oxidation of CS2
ML McKee et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Temperature dependence of the reaction of OH with SO
MA Blitz et al.
PROCEEDINGS OF THE COMBUSTION INSTITUTE (2000)
分享论文
