화학공학소재연구정보센터
검색결과 : 18건
No. Article
1 Theoretical Studies of the Ground and Excited State Structures of Stilbene
Chaudhuri RK, Freed KF, Chattopadhyay S, Mahapatra US
Journal of Physical Chemistry A, 117(39), 9424, 2013
2 Reappraisal of Nuclear Quadrupole Moments of Atomic Halogens via Relativistic Coupled Cluster Linear Response Theory for the Ionization Process
Chaudhuri RK, Chattopadhyay S, Mahapatra US
Journal of Physical Chemistry A, 117(47), 12616, 2013
3 Study of equilibrium geometries of diradicaloid systems via state specific multireference Moller-Plesset perturbation theory (SS-MRMPPT)
Chattopadhyay S, Mahapatra US, Chaudhuri RK
Chemical Physics Letters, 488(4-6), 229, 2010
4 Studies on m-benzyne and phenol via improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method
Chattopadhyay S, Chaudhuri RK, Mahapatra US
Chemical Physics Letters, 491(1-3), 102, 2010
5 Second-Order State-Specific Multireference Moller-Plesset Perturbation Theory (SS-MRMPPT) Applied to Geometry Optimization
Mahapatra US, Chattopadhyay S, Chaudhuri RK
Journal of Physical Chemistry A, 114(10), 3668, 2010
6 Investigation of Low-Lying States of Oxygen Molecule via Second-Order Multireference Perturbation Theory: A State-Specific Approach
Chattopadhyay S, Mahapatra US, Chaudhuri RK
Journal of Physical Chemistry A, 113(20), 5972, 2009
7 Dipole moment studies of H-bonded complexes of phenols and substituted phenols with benzaldehyde in tetrachloromethane
Mahapatra US, Roy GS, Maharana L
Indian Journal of Chemical Technology, 11(6), 811, 2004
8 A state-specific approach to multireference coupled electron-pair approximation like methods: Development and applications
Chattopadhyay S, Pahari D, Mukherjee D, Mahapatra US
Journal of Chemical Physics, 120(13), 5968, 2004
9 Molecular applications of a state-specific multireference coupled electron-pair approximation (SS-MRCEPA)-like method
Chattopadhyay S, Mahapatra US
Journal of Physical Chemistry A, 108(52), 11664, 2004
10 Relativistic coupled cluster calculations of the energies for rubidium and cesium atoms
Chaudhuri RK, Sahoo BK, Das BP, Merlitz H, Mahapatra US, Mukherjee D
Journal of Chemical Physics, 119(20), 10633, 2003