화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Ab initio calibration study of the heat of formation, geometry, and anharmonic force field of fluoroacetylene
Persson BJ, Taylor PR, Martin JML
Journal of Physical Chemistry A, 102(14), 2483, 1998
2 Ab initio calculations of the vibrational and electronic spectra of diketopiperazine
Hirst JD, Persson BJ
Journal of Physical Chemistry A, 102(38), 7519, 1998
3 Ab initio geometry, quartic force field, and vibrational frequencies for P-4
Persson BJ, Taylor PR, Lee TJ
Journal of Chemical Physics, 107(13), 5051, 1997
4 Accurate Quantum-Chemical Calculations - The Use of Gaussian-Type Geminal Functions in the Treatment of Electron Correlation
Persson BJ, Taylor PR
Journal of Chemical Physics, 105(14), 5915, 1996
5 Study of the Low-Lying Electronic States of Cco by Photoelectron-Spectroscopy of Cco- and Ab-Initio Calculations
Zengin V, Persson BJ, Strong KM, Continetti RE
Journal of Chemical Physics, 105(22), 9740, 1996
6 Theoretical-Study of the Chemical Bonding in Ni(C2H4) and Ferrocene
Pierloot K, Persson BJ, Roos BO
Journal of Physical Chemistry, 99(11), 3465, 1995
7 Extended Ab-Initio and Theoretical Thermodynamics Studies of the Bergman Reaction and the Energy Splitting of the Singlet O-Benzynes, M-Benzynes, and P-Benzynes
Lindh R, Lee TJ, Bernhardsson A, Persson BJ, Karlstrom G
Journal of the American Chemical Society, 117(27), 7186, 1995
8 A Theoretical-Study of the Chemical Bonding in M(Co)(X) (M=cr, Fe, and Ni)
Persson BJ, Roos BO, Pierloot K
Journal of Chemical Physics, 101(8), 6810, 1994
9 Ab-Initio Study of the Bergman Reaction - The Autoaromatization of Hex-3-Ene-1,5-Diyne
Lindh R, Persson BJ
Journal of the American Chemical Society, 116(11), 4963, 1994
10 Ab-Initio Study of the Bergman Reaction - The Autoaromatization of Hex-3-Ene-1,5-Diyne (Vol 116, Pg 4963, 1994)
Lindh R, Persson BJ
Journal of the American Chemical Society, 116(20), 9411, 1994