Items where Author is "Das, K. K."

Article

Mondal, Chandan Kumar ; Das, K. K. ; Maji, K. ; Bhattacharyya, S. P. (2004) Photoionization dynamics from Cl₂^-: a one-electron model Chemical Physics Letters, 394 (1-3). pp. 215-219. ISSN 0009-2614

Nandi, P. K. ; Das, K. K. ; Bhattacharyya, S. P. (1999) Solvent modulation of ground and excited state properties of 5-dimethyl amino 5'-nitro-2,2'-bithiophene (DNBT): a case study within the framework of a scaled self consistent reaction field method Journal of Molecular Structure: Theochem, 466 (1-3). pp. 155-164. ISSN 0166-1280

Bandyopadhyay, D. P. ; Majumdar, D. ; Bhattacharyya, S. P. ; Das, K. K. (1996) On the ground and excited state molecular electronic structures and properties of benzanilide and its tautomer and their solvent dielectric modulations Journal of Molecular Structure: Theochem, 367 . pp. 127-138. ISSN 0166-1280

Medhi, C. ; Bhattacharyya, S. P. ; Das, K. K. (1993) Handling of intrinsic divergence in the orthogonal gradient method of orbital optimization in an MC-SCF framework and geometry optimization in pathological cases: I (propynal in excited states) Pramana - Journal of Physics, 40 (1). pp. 65-74. ISSN 0304-4289

Khan, P. ; Das, K. K. ; Bhattacharyya, S. P. (1990) On the connection between semiempirical molecular orbital theories and effective hamiltonians: a constrained variational point of view International Journal of Quantum Chemistry, 37 (4). pp. 415-422. ISSN 0020-7608

Maity, D. K. ; Das, K. K. ; Bhattacharyya, S. P. (1989) On the usefulness of generalised quantum chemical valence parameters in monitoring the course of a chemical reaction: a case study of the photochemical decomposition of HNO in excited states Proceedings of the Indian Academy of Sciences - Chemical Sciences, 101 (5). pp. 421-428. ISSN 0253-4134

Das, K. K. ; Bhattacharyya, S. P. (1988) Cation-inert gas atom interactions: a look into charge transfer energetics Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (6). pp. 509-517. ISSN 0253-4134

Khan, P. ; Das, K. K. ; Bhattacharyya, S. P. (1987) On the use of dipole moment as a collective coordinate in constrained variational calculations Proceedings of the Indian Academy of Sciences - Chemical Sciences, 99 (1-2). pp. 83-89. ISSN 0253-4134

Das, K. K. ; Khan, Priyotosh ; Bhattacharyya, S. P. (1985) On the direct determination of constrained pure state one-electron density matrices: part I. a new theoretical model for closed-shell systems Pramana - Journal of Physics, 25 (3). pp. 281-290. ISSN 0304-4289