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Journal Articles

Electronically nonadiabatic mechanism of the vibrational relaxation of NO in Ar: Rate coefficients from ab initio potentials and asymptotic coupling

E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 149, 014301 (2018)

https://doi.org/10.1063/1.5038619

Published: July 2018

View article titled, Electronically nonadiabatic mechanism of the vibrational relaxation of NO in Ar: Rate coefficients from ab initio potentials and asymptotic coupling

Journal Articles

Relocking of intrinsic angular momenta in collisions of diatoms with ions: Capture of H₂(j = 0,1) by H₂⁺

E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 145, 244315 (2016)

https://doi.org/10.1063/1.4972129

Published: December 2016

View article titled, Relocking of intrinsic angular momenta in collisions of diatoms with ions: Capture of H2(j = 0,1) by H2+

Journal Articles

Further insight into the tunneling contribution to the vibrational relaxation of NO in Ar

E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 142, 164310 (2015)

https://doi.org/10.1063/1.4919126

Published: April 2015

View article titled, Further insight into the tunneling contribution to the vibrational relaxation of NO in Ar

Journal Articles

Electronic nonadiabatic effects in low temperature radical-radical reactions. I. C(³P) + OH(²Π)

A. I. Maergoiz, E. E. Nikitin, J. Troe

J. Chem. Phys. 141, 044302 (2014)

https://doi.org/10.1063/1.4889996

Published: July 2014

View article titled, Electronic nonadiabatic effects in low temperature radical-radical reactions. I. C(3P) + OH(2Π)

Includes: Supplementary data

Journal Articles

Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. II. Interplay between electrostatic and gyroscopic interactions

M. Auzinsh, E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 139, 144315 (2013)

https://doi.org/10.1063/1.4821589

Published: October 2013

View article titled, Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. II. Interplay between electrostatic and gyroscopic interactions

Journal Articles

Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. I. General axially nonadiabatic channel treatment

M. Auzinsh, E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 139, 084311 (2013)

https://doi.org/10.1063/1.4819062

Published: August 2013

View article titled, Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. I. General axially nonadiabatic channel treatment

Journal Articles

The dissociation/recombination reaction CH₄ (+M) ⇔ CH₃ + H (+M): A case study for unimolecular rate theory

J. Troe, V. G. Ushakov

J. Chem. Phys. 136, 214309 (2012)

https://doi.org/10.1063/1.4717706

Published: June 2012

View article titled, The dissociation/recombination reaction CH4 (+M) ⇔ CH3 + H (+M): A case study for unimolecular rate theory

Journal Articles

Revisiting falloff curves of thermal unimolecular reactions

J. Troe, V. G. Ushakov

J. Chem. Phys. 135, 054304 (2011)

https://doi.org/10.1063/1.3615542

Published: August 2011

View article titled, Revisiting falloff curves of thermal unimolecular reactions

Journal Articles

Lambda-doublet specificity in the low-temperature capture of NO ( X Π 2 1 / 2 ) in low rotational states by C + ions

M. Auzinsh, E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 130, 014304 (2009)

https://doi.org/10.1063/1.3043365

Published: January 2009

View article titled, Lambda-doublet specificity in the low-temperature capture of NO ( X Π 2 1 / 2 ) in low rotational states by C + ions

Journal Articles

Quantum capture, adiabatic channel, and classical trajectory study of the high pressure rate constant of the reaction H + O 2 → H O 2 between 0 and 5000 K

J. Troe, V. G. Ushakov

J. Chem. Phys. 128, 204307 (2008)

https://doi.org/10.1063/1.2917201

Published: May 2008

View article titled, Quantum capture, adiabatic channel, and classical trajectory study of the high pressure rate constant of the reaction H + O 2 → H O 2 between 0 and 5000 K

Journal Articles

Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion

M. Auzinsh, E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 128, 184304 (2008)

https://doi.org/10.1063/1.2913519

Published: May 2008

View article titled, Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion

Journal Articles

Interpretation of the vibrational relaxation of H 2 in H 2 within the semiclassical effective mass approach

E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 127, 114317 (2007)

https://doi.org/10.1063/1.2766949

Published: September 2007

View article titled, Interpretation of the vibrational relaxation of H 2 in H 2 within the semiclassical effective mass approach

Journal Articles

Semiclassical extension of the Landau-Teller theory of collisional energy transfer

E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 125, 154315 (2006)

https://doi.org/10.1063/1.2357951

Published: October 2006

View article titled, Semiclassical extension of the Landau-Teller theory of collisional energy transfer

Journal Articles

Electron attachment to P O Cl 3 : Measurement and theoretical analysis of rate constants and branching ratios as a function of gas pressure and temperature, electron temperature, and electron energy

Jane M. Van Doren, Jeffery F. Friedman, Thomas M. Miller, A. A. Viggiano, S. Denifl, P. Scheier, T. D. Märk, J. Troe

J. Chem. Phys. 124, 124322 (2006)

https://doi.org/10.1063/1.2176613

Published: March 2006

View article titled, Electron attachment to P O Cl 3 : Measurement and theoretical analysis of rate constants and branching ratios as a function of gas pressure and temperature, electron temperature, and electron energy

Journal Articles

Experimental and modeling study of the ion-molecule association reaction H 3 O + + H 2 O ( + M ) → H 5 O 2 + ( + M )

S. Hamon, T. Speck, J. B. A. Mitchell, B. Rowe, J. Troe

J. Chem. Phys. 123, 054303 (2005)

https://doi.org/10.1063/1.1935520

Published: August 2005

View article titled, Experimental and modeling study of the ion-molecule association reaction H 3 O + + H 2 O ( + M ) → H 5 O 2 + ( + M )

Journal Articles

Evaluated Kinetic Data for Combustion Modeling: Supplement II

D. L. Baulch, C. T. Bowman, C. J. Cobos, R. A. Cox, Th. Just, J. A. Kerr, M. J. Pilling, D. Stocker, J. Troe, W. Tsang, R. W. Walker, J. Warnatz

J. Phys. Chem. Ref. Data 34, 757–1397 (2005)

https://doi.org/10.1063/1.1748524

Published: July 2005

View article titled, Evaluated Kinetic Data for Combustion Modeling: Supplement II

Journal Articles

Rates of complex formation in collisions of rotationally excited homonuclear diatoms with ions at very low temperatures: Application to hydrogen isotopes and hydrogen-containing ions

E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 122, 184311 (2005)

https://doi.org/10.1063/1.1889425

Published: May 2005

View article titled, Rates of complex formation in collisions of rotationally excited homonuclear diatoms with ions at very low temperatures: Application to hydrogen isotopes and hydrogen-containing ions

Journal Articles

Intramolecular vibrational energy redistribution in bridged azulene-anthracene compounds: Ballistic energy transport through molecular chains

D. Schwarzer, P. Kutne, C. Schröder, J. Troe

J. Chem. Phys. 121, 1754–1764 (2004)

https://doi.org/10.1063/1.1765092

Published: July 2004

View article titled, Intramolecular vibrational energy redistribution in bridged azulene-anthracene compounds: Ballistic energy transport through molecular chains

Journal Articles

Quantum scattering and adiabatic channel treatment of the low-energy and low-temperature capture of a rotating quadrupolar molecule by an ion

E. I. Dashevskaya, I. Litvin, E. E. Nikitin, J. Troe

J. Chem. Phys. 120, 9989–9997 (2004)

https://doi.org/10.1063/1.1724822

Published: June 2004

View article titled, Quantum scattering and adiabatic channel treatment of the low-energy and low-temperature capture of a rotating quadrupolar molecule by an ion

Journal Articles

Molecular dynamics approach to vibrational energy relaxation: Quantum-classical versus purely classical nonequilibrium simulations

A. A. Neufeld, D. Schwarzer, J. Schroeder, J. Troe

J. Chem. Phys. 119, 2502–2512 (2003)

https://doi.org/10.1063/1.1587125

Published: August 2003

View article titled, Molecular dynamics approach to vibrational energy relaxation: Quantum-classical versus purely classical nonequilibrium simulations

NARROW

Topics

Electronically nonadiabatic mechanism of the vibrational relaxation of NO in Ar: Rate coefficients from ab initio potentials and asymptotic coupling

Relocking of intrinsic angular momenta in collisions of diatoms with ions: Capture of H₂(j = 0,1) by H₂⁺

Further insight into the tunneling contribution to the vibrational relaxation of NO in Ar

Electronic nonadiabatic effects in low temperature radical-radical reactions. I. C(³P) + OH(²Π)

Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. II. Interplay between electrostatic and gyroscopic interactions

Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. I. General axially nonadiabatic channel treatment

The dissociation/recombination reaction CH₄ (+M) ⇔ CH₃ + H (+M): A case study for unimolecular rate theory

Revisiting falloff curves of thermal unimolecular reactions

Lambda-doublet specificity in the low-temperature capture of NO ( X Π 2 1 / 2 ) in low rotational states by C + ions

Quantum capture, adiabatic channel, and classical trajectory study of the high pressure rate constant of the reaction H + O 2 → H O 2 between 0 and 5000 K

Nonadiabatic transitions between lambda-doubling states in the capture of a diatomic molecule by an ion

Interpretation of the vibrational relaxation of H 2 in H 2 within the semiclassical effective mass approach

Semiclassical extension of the Landau-Teller theory of collisional energy transfer

Electron attachment to P O Cl 3 : Measurement and theoretical analysis of rate constants and branching ratios as a function of gas pressure and temperature, electron temperature, and electron energy

Experimental and modeling study of the ion-molecule association reaction H 3 O + + H 2 O ( + M ) → H 5 O 2 + ( + M )

Evaluated Kinetic Data for Combustion Modeling: Supplement II

Rates of complex formation in collisions of rotationally excited homonuclear diatoms with ions at very low temperatures: Application to hydrogen isotopes and hydrogen-containing ions

Intramolecular vibrational energy redistribution in bridged azulene-anthracene compounds: Ballistic energy transport through molecular chains

Quantum scattering and adiabatic channel treatment of the low-energy and low-temperature capture of a rotating quadrupolar molecule by an ion

Molecular dynamics approach to vibrational energy relaxation: Quantum-classical versus purely classical nonequilibrium simulations

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