Contact and support
Need help, have a question, or want to contact the ResearchHub team?
© 2026 ResearchHub. Built for responsible scholarly connection.
Privacy-aware community infrastructureResearch graph
References from Full-Dimensional Quantum Dynamics of the H + CH2D2 → H2 + CHD2 Reaction: Mode-Specific Chemistry in an Asymmetric Methane Isotopologue. Local targets link to admitted publications; unresolved targets remain external evidence.
Reduced dimensionality calculations of quantum reactive scattering for the H+CH4 → H2+CH3 reaction
10.1063/1.470920 · 1996 · External reference
Four-dimensional quantum scattering calculations on the H + CH4 → H2 + CH3 reaction
10.1063/1.479634 · 1999 · External reference
Application of semirigid vibrating rotor target model to reaction of H+CH4 → CH3+H2
10.1063/1.482013 · 2000 · External reference
A reduced dimensionality, six-degree-of-freedom, quantum calculation of the H+CH4 → H2 + CH3 reaction
10.1063/1.1383048 · 2001 · External reference
A quantum model Hamiltonian to treat reactions of the type X+YCZ3 → XY + CZ3: Application to O(3P)+CH4 → OH+CH3
10.1063/1.480749 · 2000 · External reference
A seven-dimensional quantum study of the H+CH4 reaction
10.1063/1.1524181 · 2002 · External reference
A transition state wave packet study of the H+CH4 reaction
10.1063/1.2812553 · 2007 · External reference
Seven-dimensional quantum dynamics study of the O(3P)+CH4 reaction
10.1063/1.2434171 · 2007 · External reference
Depression of reactivity by the collision energy in the single barrier H+CD4 → HD+CD3 reaction
10.1073/pnas.1006910107 · 2010 · External reference
Theoretical study of the validity of the polanyi rules for the late-barrier Cl+CHD3 reaction
10.1021/jz301649w · 2012 · External reference
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
10.1021/jz301735m · 2012 · External reference
Communication: A six-dimensional state-to-state quantum dynamics study of the H+CH4 → H2+CH3 reaction (J = 0)
10.1063/1.4774116 · 2013 · External reference
Accuracy of the centrifugal sudden approximation in the H + CHD3 → H2 + CD3 reaction
10.1063/1.4881517 · 2014 · External reference
Effects of reagent rotational excitation on the H + CHD3 → H2 + CD3 reaction: A seven dimensional time-dependent wave packet study
10.1063/1.4897308 · 2014 · External reference
An eight-dimensional quantum dynamics study of the Cl + CH4 → HCl + CH3 reaction
10.1063/1.4931833 · 2015 · External reference
Dynamical barrier and isotope effects in the simplest substitution reaction via Walden inversion mechanism
10.1038/ncomms14506 · 2017 · External reference
Reactivity oscillation in the heavy-light-heavy Cl+CH4 reaction
10.1073/pnas.1917618117 · 2020 · External reference
Feshbach resonances in the F + CHD3 → HF + CD3 reaction
10.1039/d3sc02629a · 2023 · External reference
Isotope Effect and Heavy-Light-Heavy Reactivity Oscillation in the Cl + CHD3/CHT3 Reaction
10.1021/acs.jpca.3c07348 · 2024 · External reference
State-to-state integral cross sections for the Cl + CHD3 (νCH = 0,1) → HCl + CD3 reactions
10.1063/5.0256166 · 2025 · External reference
An eight-dimensional quantum mechanical Hamiltonian for X+YCZ3 system and its applications to H+CH4 reaction
10.1063/1.4764358 · 2012 · External reference
Full dimensional quantum calculations of the CH4+H → CH3+H2 reaction rate
10.1063/1.1311802 · 2000 · External reference
First-principles theory for the H + CH4 → H2 + CH3 reaction
10.1126/science.1104085 · 2004 · External reference
Accurate potential energy surface and quantum reaction rate calculations for the H + CH4 → H2 + CH3 reaction
10.1063/1.2189223 · 2006 · External reference
Communications: A rigorous transition state based approach to state-specific reaction dynamics: Full-dimensional calculations for H+CH4 → H2+CH3
10.1063/1.3428622 · 2010 · External reference
Full-dimensional quantum reaction rate calculations for H + CH4 → H2 + CH3 on a recent potential energy surface
10.1021/jp911880u · 2010 · External reference
Communication: Ro-vibrational control of chemical reactivity in H + CH4 → H2 + CH3: Full-dimensional quantum dynamics calculations and a sudden model
10.1063/1.4891917 · 2014 · External reference
Loss of memory in H+CH4 → H2+CH3 state-to-state reactive scattering
10.1021/jz502525p · 2015 · External reference
Communication: Reactivity borrowing in the mode selective chemistry of H + CHD3 → H2+CD3
10.1063/1.5018254 · 2017 · External reference
H+CH4 → H2+CH3 initial state-selected reaction probabilities on different potential energy surfaces
10.1016/j.chemphys.2016.08.032 · 2017 · External reference
Full-dimensional quantum dynamics calculations for H+CHD3 → H2 + CD3: The effect of multiple vibrational excitations
10.1063/1.5037797 · 2018 · External reference
Natural reaction channels in H + CHD3 → H2 + CD3
10.1039/c8fd00081f · 2018 · External reference
Vibrational control of the reaction pathway in the H + CHD3 → H2+CD3 reaction
10.1126/sciadv.abm9820 · 2022 · External reference
Initial state-selected scattering for the reactions H + CH4/CHD3 and F + CHD3 employing ring polymer molecular dynamics
10.1063/5.0076216 · 2022 · External reference
A ten-dimensional quantum dynamics model for the X+YCAB2 reaction: Application to H+CH4 reaction
10.1063/5.0033851 · 2020 · External reference
Full dimensional quantum mechanical calculations of the reaction probability of the H+NH3 collision based on a mixed Jacobi and Radau description
10.1063/1.5096047 · 2019 · External reference
Full-dimensional quantum mechanical calculations of the reaction probability of the H+CH4 reaction based on a mixed Jacobi and Radau description
10.1063/5.0009721 · 2020 · External reference
Full-dimensional time-dependent treatment for diatom-diatom reactions: The H2+OH reaction
10.1063/1.467808 · 1994 · External reference
A six dimensional quantum study for atom triatom reactions: The H+H2O → H2+OH reaction
10.1063/1.471203 · 1996 · External reference
Full dimensional time-dependent quantum dynamics study of the H+NH3 → H2+NH2 reaction
10.1063/1.2967854 · 2008 · External reference
Quantum Dynamics Description of Reactions with Seven Atoms: Application to the OH + CHD3
10.1021/acs.jctc.6c00050 · 2026 · External reference
Vector parametrization of the three-atom problem in quantum mechanics
10.1016/s0166-1280(97)00240-6 · 1998 · External reference
Vector parametrization of the N-atom problem in quantum mechanics. II. Coupled-angular-momentum spectral representations for four-atom systems
10.1063/1.476328 · 1998 · External reference
Vector parametrization of the N-atom problem in quantum mechanics. I. Jacobi vectors
10.1063/1.476327 · 1998 · External reference
Vector parametrization of the N-atom problem in quantum mechanics. III. Separation into two subsystems: Application to NH3
10.1063/1.480051 · 1999 · External reference
Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach
10.1016/j.physrep.2009.05.003 · 2009 · External reference
Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane
10.1063/1.4950028 · 2016 · External reference
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H+CH4 system
10.1063/1.4921412 · 2015 · External reference
Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem
10.1063/1.5019323 · 2018 · External reference
Accuracy of the centrifugal sudden approximation in the H+H2O reaction and accurate integral cross sections for the H+H2O → H2+OH abstraction reaction
10.1063/1.1519009 · 2002 · External reference
High-Resolution Near Infrared Spectroscopy and Vibrational Dynamics of Dideuteromethane (CH2D2)†
10.1021/jp809839t · 2009 · External reference
