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A quantum mechanical representation in phase space
- G. Torres‐Vega, J. Frederick
- Physics
- 15 February 1993
A quantum mechanical representation suitable for studying the time evolution of quantum densities in phase space is proposed and examined in detail. This representation on L2 (2) phase space is based…
Quantum mechanics in phase space: New approaches to the correspondence principle
- G. Torres‐Vega, J. Frederick
- Physics
- 15 December 1990
We present a time evolution equation that provides a novel basis for the treatment of quantum systems in phase space and for the investigation of the quantum‐classical correspondence. Through the use…
Previtamin D conformations and the wavelength-dependent photoconversions of previtamin D
- O. Dmitrenko, J. Frederick, W. Reischl
- Physics, Chemistry
- 16 March 2001
Ab initio study of conformational stability in previtamin D, vitamin D and related model compounds
- O. Dmitrenko, J. Frederick, W. Reischl
- Chemistry
- 18 September 2000
General formulation of the vibrational kinetic energy operator in internal bond-angle coordinates
- J. Frederick, C. Woywod
- Engineering
- 11 October 1999
A general formulation of the vibrational kinetic energy operator expressed in internal bond-angle coordinates is presented. This formulation is based on Podolsky’s expression for the covariant form…
Is the nonradiative decay of S1 cis-stilbene due to the dihydrophenanthrene isomerization channel? Suggestive evidence from photophysical measurements on 1,2-diphenylcycloalkenes
- H. Petek, K. Yoshihara, Y. Fujiwara, Zhe Lin, J. Penn, J. Frederick
- Chemistry
- 1 September 1990
Quasiclassical Molecular Dynamics Simulation of the Photoisomerization of Stilbene
- V. D. Vachev, J. Frederick, B. Grishanin, V. Zadkov, N. Koroteev
- Chemistry, Physics
- 1995
The ultrafast laser-induced isomerization dynamics of gas phase stilbene is studied in detail using quasiclassical molecular dynamics methods. To model the dynamics, empirical potential surfaces for…
HOD spectroscopy and photodissociation dynamics: selectivity in hydroxyl/hydroxyl-d bond breaking
- Jinzhong Zhang, D. Imre, J. Frederick
- Chemistry
- 1 March 1989
Stilbene isomerization dynamics on multidimensional potential energy surface. Molecular dynamics simulation
- V. D. Vachev, J. Frederick, B. Grishanin, V. Zadkov, N. Koroteev
- Chemistry
- 3 December 1993
Molecular Hamiltonians for highly constrained model systems
- J. Hadder, J. Frederick
- Physics
- 1 September 1992
We describe a simple approach for constructing the molecular Hamiltonian which is ideal for studying large molecular systems in which many constraints are imposed. The present procedure allows one to…
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