화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Analytical dipole moments and dipole polarizabilities of doublet radicals using Cholesky representation of constrained variational linear response to Fock-space multi-reference coupled-cluster method with single and double substitutions
Kumar D, Manohar PU
Chemical Physics Letters, 730, 234, 2019
2 Effect of a Heteroatom on Bonding Patterns and Triradical Stabilization Energies of 2,4,6-Tridehydropyridine versus 1,3,5-Tridehydrobenzene (vol 113, pg 2591, 2009)
Manohar PU, Koziol L, Krylov AI
Journal of Physical Chemistry A, 114(23), 6558, 2010
3 Effect of a Heteroatom on Bonding Patterns and Triradical Stabilization Energies of 2,4,6-Tridehydropyridine versus 1,3,5-Tridehydrobenzene
Manohar PU, Koziol L, Krylov AI
Journal of Physical Chemistry A, 113(11), 2591, 2009
4 Dipole moments and polarizabilities of some small radicals using constrained variational response to Fock-space multi-reference coupled-cluster theory
Manohar PU, Pal S
Chemical Physics Letters, 438(4-6), 321, 2007
5 Extended coupled-cluster approach for magnetizabilities of small molecules
Manohar PU, Vaval N, Pal S
Chemical Physics Letters, 387(4-6), 442, 2004