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Research Output

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Conference contribution
2018

Dynamics of vibrational energy excitation and dissociation in oxygen from direct molecular simulation

Grover, M. S., Schwartzentruber, T. E., Varga, Z. & Truhlar, D. G., Jan 1 2018, AIAA Aerospace Sciences Meeting. 210059 ed. American Institute of Aeronautics and Astronautics Inc, AIAA, (AIAA Aerospace Sciences Meeting, 2018; no. 210059).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Scopus citations
2014

Quasiclassical trajectory analysis of the N2 + N2 reaction using a new ab initio potential energy surface

Bender, J. D., Nompelis, I., Valentini, P., Schwartzentruber, T., Candler, G. V., Doraiswamy, S., Paukku, Y., Yang, K. R., Varga, Z. & Truhlar, D. G., Jan 1 2014, AIAA AVIATION 2014 -11th AIAA/ASME Joint Thermophysics and Heat Transfer Conference. American Institute of Aeronautics and Astronautics Inc., (AIAA AVIATION 2014 -11th AIAA/ASME Joint Thermophysics and Heat Transfer Conference).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

12 Scopus citations
2006

Validation of density functionals, semiempirical methods, and new multicoefficient correlation methods for Zn coordination chemistry

Ambrose, E. A. & Truhlar, D. G., Dec 1 2006, Abstracts of Papers - 232nd American Chemical Society Meeting and Exposition. (ACS National Meeting Book of Abstracts; vol. 232).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1985

LARGE-SCALE QUANTUM MECHANICAL SCATTERING CALCULATIONS ON VECTOR COMPUTERS.

Schwenke, D. W. & Truhlar, D. G., Dec 1 1985, Unknown Host Publication Title. Plenum Press, p. 215-254 40 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

16 Scopus citations
1983

VARIATIONAL TRANSITION STATE THEORY.

Truhlar, D. G., Dec 1 1983, Brookhaven National Laboratory (Report) BNL. p. 80-84 5 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution