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Dynamics of molecules and chemical reactions
Abstract
Spectra, rates, and intranolecular dynamics quantum mechanical studies of molecular spectra and dynamics picturing quantized intranolecular vibrational energy flow: action diffusion, localization, and scaling canonical Van Vleck perturbation theory and its application to studies of highly vibrationally excited states of polyatomic molecules quantum molecular dynamics on grids time-dependent quantum dynamics for gas-phase and gas-surface reactions new methods for use in scattering calculations: the spectral projection method and the stabilization method time-independent wave-packet-distributed approximating functional approach to quantum dynamics computational spectroscopy of the transition state theory: rigorous quantum approaches for determining chemical reaction rates the geometric phase in reaction dynamics nondiabatic transitions: beyond Born-Oppenheimer application of semiclassical dynamics to chemical reactions nonlinear classical dynamics and unimolecular reactions the classical trajectory approach to reaction dynamics theory of activated rate processes.
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Citations
Cited by
Q UANTUM M ECHANICAL M ETHODS FOR E NZYME K INETICS
Gao, J., & Truhlar, D. G. (2002) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.53.091301.150114 · Cited by 733
MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules
Bowman, J. M., Carter, S., & Huang, X. (2003) · International Reviews in Physical Chemistry · doi:10.1080/0144235031000124163 · Cited by 477
Iyengar, S. S., Schlegel, H. B., Millam, J. M., A. Voth, G., Scuseria, G. E., & Frisch, M. J. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1416876 · Cited by 451
Nonadiabatic Events and Conical Intersections
Matsika, S., & Krause, P. (2011) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-032210-103450 · Cited by 309
Calculating the thermal rate constant with exponential speedup on a quantum computer
Lidar, D. A., & Wang, H. (1999) · Physical Review E · doi:10.1103/physreve.59.2429 · Cited by 115
Metadata
- Venue
- Choice Reviews Online
- Publisher
- American Library Association
- Published
- 1997-03-01
- Volume
- 34
- Issue
- 07
- Pages
- 34-3864-34-3864
- ISSN
- 0009-4978 (ISSN-L)
- 1523-8253
- OpenAlex
- W594167041
- Cited by
- 642
- References
- 0
- Type
- book review
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
