Zobrazeno 1 - 10 of 46 pro vyhledávání: '"Randall B. Shirts"'
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Akademický článek
A comparison of Boltzmann and Gibbs definitions of microcanonical entropy for small systems
Autor: Randall B. Shirts
Publikováno v: AIP Advances, Vol 11, Iss 12, Pp 125023-125023-14 (2021)
Two different definitions of entropy, S = k ln W, in the microcanonical ensemble have been competing for over 100 years. The Boltzmann/Planck definition is that W is the number of states accessible to the system at its energy E (also called the surfa
Externí odkaz: https://doaj.org/article/8cb48035b27b4fe0bf4ec2ad70be52bb
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2
Quantum Interstate Phase Differences and Multiphoton Processes: Quantum Jumps or Dynamic Beats?
Autor: Randall B. Shirts, John S. Welch
Publikováno v: ACS Omega. 7:30632-30641
Whether quantum state transitions occur by instantaneous jumps (a la Bohr) or deterministic dynamics (Schrödinger's preference) has been intensely debated. Recent experimental measurements of shelved electrons have reignited the debate. We examine a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::762b437e31df80d9219c6896ac57cb7f
https://doi.org/10.1021/acsomega.2c04554
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3
Connecting the Dunham Expansion to the Dissociation Limit for Interatomic Potentials: Application to Lennard-Jones m–n Potentials
Autor: Randall B. Shirts
Publikováno v: The Journal of Physical Chemistry A. 122:8591-8599
Dunham generated the expansion for energy levels of a rotating, vibrating diatomic molecule from an expansion of the potential about the equilibrium position. For partition functions, however, the energy levels are needed all the way to dissociation.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea0329343ebaf75d800ada0a0f25f539
https://doi.org/10.1021/acs.jpca.8b08095
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4
An improved model to calculate equilibrium constants for formation of peroxy radical–water complexes
Autor: Emily Burrell, Jaron C. Hansen, Sambhav R. Kumbhani, Randall B. Shirts
Publikováno v: Theoretical Chemistry Accounts. 137
Recent experimental results show that the kinetics of some radical–radical reactions important for atmospheric pollution formation are faster when a radical–molecule complex forms as one step in the reaction mechanism. Calculated radical–molecu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bf432de441fcd5b24fcd66890e7a6cec
https://doi.org/10.1007/s00214-018-2262-8
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5
Water Vapor Enhancement of Rates of Peroxy Radical Reactions
Autor: Jaron C. Hansen, Marie C. Killian, Jared Clark, Lee D. Hansen, David J. Robichaud, William J. Keeton, Taylor S. Cline, Randall B. Shirts, Sambhav R. Kumbhani
Publikováno v: International Journal of Chemical Kinetics. 47:395-409
Peroxy radicals can complex with water vapor. These complexes affect tropospheric chemistry. In this study, β-HEP (hydroxyethyl peroxy radical) serves as a model system for investigating the effect of water vapor on the kinetics and product branchin
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::eaf5c8799bebfeb7bfb0ee01aa6909f8
https://doi.org/10.1002/kin.20917
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8
Deviations from the Boltzmann distribution in small microcanonical quantum systems: Two approximate one-particle energy distributions
Autor: Randall B. Shirts, Michael R. Shirts
Publikováno v: The Journal of Chemical Physics. 117:5564-5575
The Boltzmann distribution, which accurately describes the exponential energy dependence of the canonical ensemble, only describes the distribution of one-particle energies for a microcanonical system in the large system limit. We present two distrib
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9a7fe636f5db8befd2be7a17d3c48ffe
https://doi.org/10.1063/1.1503306
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9
Experimental evidence of picosecond to femtosecond molecular motion of the macrocycles 12-crown-4 and 15-crown-5 in cyclohexane at 25 °C
Autor: Randall B. Shirts, Meizhen Xu, Edward M. Eyring, Sergio Petrucci
Publikováno v: Physical Chemistry Chemical Physics. 2:2297-2300
Values of the dielectric loss coefficient, e″, part of the complex permittivity, e*=e′−ie″, from UHF to terahertz (THz) frequencies, are reported for the macrocycles 12-crown-4 (12C4) and 15-crown-5 (15C5), in the solvent cyclohexane at 25°C
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f06effb9f208c493861382774bbe9a00
https://doi.org/10.1039/b000845l
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10
Anomalous line shapes caused by charge transfer in low-pressure discharges
Autor: Hilary P. Parry, Randall B. Shirts, Paul B. Farnsworth
Publikováno v: Spectrochimica Acta Part B: Atomic Spectroscopy. 53:487-498
Doppler profiles are calculated for initial velocity distributions after charge transfer collisions. Such profiles are applied to emissions from excited Fe + following Ar + -Fe collisions, assuming an energy-independent cross section. It is shown tha
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d266a581864ca720025f37e32cbf9d3f
https://doi.org/10.1016/s0584-8547(97)00121-3
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