화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Dynamic evolutions of electron properties: A theoretical study for condensed-phase beta-HMX under shock loading
He ZH, Chen J, Wu Q, Ji GF
Chemical Physics Letters, 687, 200, 2017
2 A natural orbital diagnostic for multiconfigurational character in correlated wave functions
Gordon MS, Schmidt MW, Chaban GM, Glaesemann KR, Stevens WJ, Gonzalez C
Journal of Chemical Physics, 110(9), 4199, 1999
3 Distance Dependence and Spatial-Distribution of the Molecular Quadrupole-Moments of H-2, N-2, O-2, and F-2
Lawson DB, Harrison JF
Journal of Physical Chemistry A, 101(26), 4781, 1997
4 Molecular Quadrupole-Moment Functions of HF and N-2 .1. Ab-Initio Linear-Response Coupled-Cluster Results
Piecuch P, Kondo AE, Spirko V, Paldus J
Journal of Chemical Physics, 104(12), 4699, 1996
5 Orthogonally Spin-Adapted Single-Reference Coupled-Cluster Formalism - Linear-Response Calculation of Static Properties
Kondo AE, Piecuch P, Paldus J
Journal of Chemical Physics, 102(16), 6511, 1995
6 Property Evaluation Using the 2-Reference State-Universal Coupled-Cluster Method
Piecuch P, Paldus J
Journal of Physical Chemistry, 99(42), 15354, 1995
7 Ab-Initio Study of the Intermolecular Potential of the Water-Carbon Monoxide Complex
Sadlej J, Buch V
Journal of Chemical Physics, 100(6), 4272, 1994