화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Multi-state Multireference Rayleigh-Schrodinger Perturbation Theory for Mixed Electronic States: Second and Third Order
Shavitt I
International Journal of Molecular Sciences, 3(6), 639, 2002
2 Diagrammatic complete active space perturbation theory: Calculations on benzene, N-2, and LiF
Finley JP, Witek HA
Journal of Chemical Physics, 112(9), 3958, 2000
3 Triplet radical interaction. Direct measurement of triplet polarization transfer by Fourier transform electron paramagnetic resonance
Blank A, Levanon H
Journal of Physical Chemistry A, 104(4), 794, 2000
4 Effect of solvents on the photoenolization of omicron-methylanthrone at low temperatures. Evidence for H-atom tunneling from nonequilibrating triplets
Gamarnik A, Johnson BA, Garcia-Garibay MA
Journal of Physical Chemistry A, 102(28), 5491, 1998
5 Eigenstate Assignments and the Quantum-Classical Correspondence for Highly-Excited Vibrational-States of the Baggot H2O Hamiltonian
Keshavamurthy S, Ezra GS
Journal of Chemical Physics, 107(1), 156, 1997
6 Quantum-Mechanical and Semiclassical Dynamics at a Conical Intersection
Ferretti A, Granucci G, Lami A, Persico M, Villani G
Journal of Chemical Physics, 104(14), 5517, 1996
7 Deuterium Tunneling in Triplet 5,8-Dimethyl-1-Tetralone by Phosphorescence Detection Between 80 and 15 K
Johnson BA, Gamarnik A, Garciagaribay MA
Journal of Physical Chemistry, 100(12), 4697, 1996
8 Reactivity and Efficiency of Singlet-Excited and Triplet-Excited States in Intermolecular Hydrogen Abstraction Reactions
Nau WM, Cozens FL, Scaiano JC
Journal of the American Chemical Society, 118(9), 2275, 1996
9 Primary Isotope Effects on Excited-State Hydrogen-Atom Transfer-Reactions - Activated and Tunneling Mechanisms in an Ortho-Methylanthrone
Garciagaribay MA, Gamarnik A, Bise R, Pang L, Jenks WS
Journal of the American Chemical Society, 117(41), 10264, 1995
10 Representation of Process Trends .3. Multiscale Extraction of Trends from Process Data
Bakshi BR, Stephanopoulos G
Computers & Chemical Engineering, 18(4), 267, 1994