Pressure effects on the relaxation of an excited nitromethane molecule in an argon bath
|
journal
|
January 2015 |
Pressure effects on the relaxation of an excited hydrogen peroxyl radical in an Argon bath
|
journal
|
January 2017 |
Unravelling combustion mechanisms through a quantitative understanding of elementary reactions
|
journal
|
January 2005 |
Predictive a priori pressure-dependent kinetics
|
journal
|
December 2014 |
Theoretical Unimolecular Kinetics for CH 4 + M ⇄ CH 3 + H + M in Eight Baths, M = He, Ne, Ar, Kr, H 2 , N 2 , CO, and CH 4
|
journal
|
June 2011 |
Lennard–Jones parameters for combustion and chemical kinetics modeling from full-dimensional intermolecular potentials
|
journal
|
January 2014 |
Collisional energy transfer in the low‐pressure‐limit unimolecular dissociation of HO 2
|
journal
|
June 1984 |
Theoretical studies of collisional energy transfer in highly excited molecules: The importance of intramolecular vibrational redistribution in successive collision modeling of He+CS 2
|
journal
|
July 1988 |
A unified model for simulating liquid and gas phase, intermolecular energy transfer: N 2 + C 6 F 6 collisions
|
journal
|
May 2014 |
Bath Model for N 2 + C 6 F 6 Gas-Phase Collisions. Details of the Intermolecular Energy Transfer Dynamics
|
journal
|
April 2015 |
Collisional Intermolecular Energy Transfer from a N 2 Bath at Room Temperature to a Vibrationlly “Cold” C 6 F 6 Molecule Using Chemical Dynamics Simulations
|
journal
|
May 2017 |
Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N 2 Collisions
|
journal
|
February 2016 |
Chemical Dynamics Simulations of Energy Transfer for Propylbenzene Cation and He Collisions
|
journal
|
October 2017 |
Vibrational relaxation of OH ( X 2 Π i , v =2)
|
journal
|
February 1989 |
Vibrational energy transfer in OH X 2 Π i , v =2 and 1
|
journal
|
June 1990 |
Collision dynamics of OH( X 2 Π i , v =12)
|
journal
|
October 1990 |
Energy transfer in the ground state of OH: Measurements of OH(υ=8,10,11) removal
|
journal
|
November 1997 |
Rate Coefficients for Vibrational Relaxation of OH(X 2 Π, v = 1–4) by He
|
journal
|
April 2013 |
A pure‐rotational collisionally pumped OH laser
|
journal
|
February 1977 |
The OH and OD laser: Collision‐induced energy transfer pumping
|
journal
|
June 1978 |
Measurements of ground-state OH rotational energy-transfer rates
|
journal
|
January 1999 |
Rate coefficients for rotational energy transfer from the levels OH(X 2 Π 3/2 , v = 1, j i = 1.5, 3.5–8.5) in collisions with He, Ar, N 2 and HNO 3
|
journal
|
January 2002 |
Rotationally inelastic collisions of OH(X 2Π)+Ar. II. The effect of molecular orientation
|
journal
|
July 2000 |
Stimulated emission pumping of van der Waals vibrations in the ground electronic state of OHAr
|
journal
|
March 1991 |
Stimulated emission pumping of intermolecular vibrations in OH–Ar( X 2 Π)
|
journal
|
June 1992 |
Infrared spectroscopy of ArOH: A direct probe of the Ar+OH X2Π potential energy surface
|
journal
|
March 2000 |
A b i n i t i o calculation of the OH ( X 2 Π, A 2 Σ + )+Ar potential energy surfaces and quantum scattering studies of rotational energy transfer in the OH ( A 2 Σ + ) state
|
journal
|
September 1990 |
Potential energy surfaces for Ar–OH ( X 2 Π) obtained by fitting to high‐resolution spectroscopy
|
journal
|
November 1993 |
Ab initio potential energy surface for the Ar(1S)+OH(X2Π) interaction and bound rovibrational states
|
journal
|
March 2000 |
Three-dimensional potential energy surface of the Ar–OH(Πi2) complex
|
journal
|
September 2006 |
Vibrational-rotational-translational energy transfer in argon + hydroxyl. Quasi-classical-trajectory state-to-state cross sections
|
journal
|
June 1982 |
Quasiclassical trajectory state-to-state cross sections for energy transfer in Ar+ OH(υ = 9,J = 0,4, and 8) collisions
|
journal
|
October 1982 |
Equilibration of Vibrationally Excited OH in Atomic and Diatomic Bath Gases
|
journal
|
May 2011 |
Equilibration of OH (v7; v9) in air-like gas ensembles
|
journal
|
October 2011 |
Temperature Dependence of OH(8;6) Equilibration in an Air-like Gas Ensemble
|
journal
|
February 2012 |
Energy dependence of energy transfer in the collisional relaxation of vibrationally highly excited carbon disulfide
|
journal
|
October 1991 |
Quantum and quasi-classical collisional dynamics of O 2 –Ar at high temperatures
|
journal
|
June 2016 |
Quantum and classical relaxation rates from classical simulations
|
journal
|
June 1994 |
Quantum Dynamics and Vibrational Relaxation
|
journal
|
November 1999 |
A variational solution of the time-dependent Schrodinger equation
|
journal
|
January 1964 |
Analysis and extension of some recently proposed classical models for electronic degrees of freedom
|
journal
|
February 1980 |
Mixed quantum–classical dynamics
|
journal
|
January 1998 |
The Ehrenfest method with quantum corrections to simulate the relaxation of molecules in solution: Equilibrium and dynamics
|
journal
|
January 2007 |
Molecular dynamics with electronic transitions
|
journal
|
July 1990 |
Simulations of the Vibrational Relaxation of I 2 in Xe
|
journal
|
October 2003 |
Vibrational Energy Relaxation: A Benchmark for Mixed Quantum–Classical Methods
|
journal
|
December 2017 |
Symmetrical Windowing for Quantum States in Quasi-Classical Trajectory Simulations
|
journal
|
March 2013 |
Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes
|
journal
|
December 2013 |
Classical trajectory study of the effect of vibrational energy on the reaction of molecular hydrogen with atomic oxygen
|
journal
|
May 1977 |
DREIDING: a generic force field for molecular simulations
|
journal
|
December 1990 |
Near-resonant vibration-rotation energy transfer in atom-diatom collisions. Ar-OH(A2Σ+)
|
journal
|
September 1972 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
|
journal
|
March 1995 |
PACKMOL: A package for building initial configurations for molecular dynamics simulations
|
journal
|
October 2009 |
Computers and the Theory of Statistics: Thinking the Unthinkable
|
journal
|
October 1979 |
Computer-Intensive Methods in Statistics
|
journal
|
May 1983 |
An Introduction to the Bootstrap
|
book
|
January 1993 |
An Introduction to the Bootstrap
|
book
|
May 1994 |