Randall B. Shirts
Affiliations: | Brigham Young University, Provo, UT, United States |
Area:
Physical ChemistryGoogle:
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Publications
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| Shirts RB. (2018) Connecting the Dunham Expansion to the Dissociation Limit for Interatomic Potentials: Application to Lennard-Jones m- n Potentials. The Journal of Physical Chemistry. A |
| Shirts RB, Kumbhani SR, Burrell E, et al. (2018) An improved model to calculate equilibrium constants for formation of peroxy radical–water complexes Theoretical Chemistry Accounts. 137: 96 |
| Sohlberg K, Shirts RB. (1994) Semiclassical quantization of a nonintegrable system: Pushing the Fourier method into the chaotic regime The Journal of Chemical Physics. 101: 7763-7778 |
| Shirts RB, Stolworthy LD. (1994) Conformational sensitivity of polyether macrocycles to electrostatic potential: Partial atomic charges, molecular mechanics, and conformational prediction Journal of Inclusion Phenomena and Molecular Recognition in Chemistry. 20: 297-321 |
| Pickett TJ, Shirts RB. (1991) Semiclassical quantization of vibrational systems using fast-Fourier transform methods: Application to HDO stretches The Journal of Chemical Physics. 94: 6036-6046 |
| Smith RS, Shirts RB. (1988) Identification of intramolecular energy transfer pathways in a reactive triatomic system The Journal of Chemical Physics. 89: 2948-2957 |
| Shirts RB. (1988) Reply to Comment on ‘‘Decoupling of the local mode stretching vibrations of water through rotational excitation. I. Quantum mechanics’’ Journal of Chemical Physics. 88: 7254-7254 |
| Smith RS, Shirts RB, Patterson CW. (1987) Intramolecular energy transfer in the HNC/HCN isomerization reaction: Quasiclassical state specific isomerization rates controlled by localized potential features The Journal of Chemical Physics. 86: 4452-4460 |
| Shirts RB. (1986) Decoupling of the local mode stretching vibrations of water through rotational excitation. I. Quantum mechanics The Journal of Chemical Physics. 85: 4949-4957 |
| Patterson CW, Scott Smith R, Shirts RB. (1986) Rotational adiabatic switching of asymmetric top molecules The Journal of Chemical Physics. 85: 7241-7244 |