Browse by Subject ABINITIO

Showing results 1 to 9 of 9

1
2ND-ORDER MOLLER-PLESSET PERTURBATION-THEORY CALCULATIONS WITH RELATIVISTIC EFFECTIVE CORE POTENTIALS INCLUDING SPIN ORBIT OPERATORS

LEE, SY; Lee, Yoon Sup, CHEMICAL PHYSICS LETTERS, v.187, no.3, pp.302 - 308, 1991-12

2
A theoretical study on the structure, internal rotation and heat of formation of the protonated fluoroform cation (CF3H2+)

Shin, Dong Nam; Jung, Kyung Hoon; Ha, Tae Kyu, JOURNAL OF MOLECULAR STRUCTURE, v.422, pp.229 - 235, 1998-01

3
Ab initio study of fluorocyclobutenes: an attempt to resolve the difference between microwave spectroscopy and electron diffraction geometries of hexafluorocyclobutene

Han, YK; Lee, Yoon Sup; Lee, SY; Kim, JT, THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, v.422, pp.25 - 33, 1998-01

4
CF2XCF2X and CF2XCF2 center dot radicals (X = Cl, Br, I): Ab initio and DFT studies and comparison with experiments

Ihee, Hyotcherl; Kua, J; Goddard, WA; Zewail, AH, JOURNAL OF PHYSICAL CHEMISTRY A, v.105, no.14, pp.3623 - 3632, 2001-04

5
Conformations and barriers of haloethyl radicals (CH2XCH2, X = F, Cl, Br, I): Ab initio studies

Ihee, Hyotcherl; Zewail, AH; Goddard, WA, JOURNAL OF PHYSICAL CHEMISTRY A, v.103, no.33, pp.6638 - 6649, 1999-08

6
Infrared matrix isolation study of acetone and methanol in solid argon

Han, Sang Woo; Kim, K, JOURNAL OF PHYSICAL CHEMISTRY, v.100, no.43, pp.17124 - 17132, 1996-10

7
KINETICS OF INTRAMOLECULAR CARBON-ATOM EXCHANGE IN KETENE

LOVEJOY, ER; Kim, Sangkyu; ALVAREZ, RA; MOORE, CB, JOURNAL OF CHEMICAL PHYSICS, v.95, no.6, pp.4081 - 4093, 1991-09

8
NO3 RADICAL STUDIED BY LASER-INDUCED FLUORESCENCE

Kim, Bongsoo; HUNTER, PL; JOHNSTON, HS, JOURNAL OF CHEMICAL PHYSICS, v.96, no.6, pp.4057 - 4067, 1992-03

9
Stability of the Pentagon Structure of Water Cluster

B. J. Yoon; Mu-Shik Jhon, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.12, no.1, pp.67 - 70, 1991

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