화학공학소재연구정보센터
검색결과 : 16건
No. Article
1 Phenomenological Description of a Three-Center Insertion Reaction: An Information-Theoretic Study
Esquivel RO, Flores-Gallegos N, Dehesa JS, Angulo JC, Antolin J, Lopez-Rosa S, Sen KD
Journal of Physical Chemistry A, 114(4), 1906, 2010
2 Complexity of Dirac-Fock atom increases with atomic number
Borgoo A, De Proft F, Geerlings P, Sen KD
Chemical Physics Letters, 444(1-3), 186, 2007
3 Exchange force for two-level systems such as LiH and H-3(-)
Howard IA, Sen KD, March NH, de Proft F, Geerlings P
Chemical Physics Letters, 430(1-3), 156, 2006
4 N-derivative of Shannon entropy of shape function for atoms
Sen KD, De Proft F, Borgoo A, Geerlings P
Chemical Physics Letters, 410(1-3), 70, 2005
5 Quantum Similarity of atoms: a numerical Hartree-Fock and information theory approach
Borgoo A, Godefroid M, Sen KD, De Proft F, Geerlings P
Chemical Physics Letters, 399(4-6), 363, 2004
6 On the importance of the "density per particle" (shape function) in the density functional theory
De Proft F, Ayers PW, Sen KD, Geerlings P
Journal of Chemical Physics, 120(21), 9969, 2004
7 Mean excitation energy, static polarizability, and hyperpolarizability of the spherically confined hydrogen atom
Banerjee A, Sen KD, Garza J, Vargas R
Journal of Chemical Physics, 116(10), 4054, 2002
8 A correlation of exchange energy-exchange potential at the nucleus in atoms
Sen KD
Journal of Chemical Physics, 116(22), 9570, 2002
9 Applications of electrostatic interpretation of components of effective Kohn-Sham potential in atoms
Sen KD, De Proft F, Geerlings P
Journal of Chemical Physics, 117(10), 4684, 2002
10 Nuclear cusp of the virial exchange energy density for spherical atoms
Sen KD, Geerlings P
Journal of Chemical Physics, 117(20), 9107, 2002