共 50 条
[43]
Nonadiabatic potential-energy surfaces by constrained density-functional theory
[J].
PHYSICAL REVIEW B,
2007, 75 (11)
[46]
USE OF MOLECULAR-ORBITAL THEORY POTENTIAL-ENERGY SURFACES IN DETERMINING POLYMER CONFORMATIONS .1. POLY(ETHYLENE-TEREPHTHALATE)
[J].
JOURNAL OF MACROMOLECULAR SCIENCE-PHYSICS,
1978, B15 (04)
:619-634
[47]
FEATURES OF THE THIOFORMALDEHYDE POTENTIAL-ENERGY SURFACES
[J].
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE,
1985, 63 (07)
:1910-1917
[48]
POTENTIAL-ENERGY SURFACES FOR BCL REACTIONS
[J].
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY,
1991, 202
:88-PHYS
[49]
GRADIENT FIELDS OF POTENTIAL-ENERGY SURFACES
[J].
JOURNAL OF CHEMICAL PHYSICS,
1994, 100 (08)
:5836-5848
[50]
POTENTIAL-ENERGY SURFACES CALCULATIONS FOR ION-PAIRS .1. A COMPARISON OF PEACOCK AND SIMONETTA METHOD
[J].
JOURNAL OF THE CHEMICAL SOCIETY OF PAKISTAN,
1993, 15 (02)
:114-119