Items where Author is "Kulkarni, Sudhir A."

Article

Bhaduri, Sumit ; Mukhopadhyay, Sami ; Kulkarni, Sudhir A. (2009) Density functional studies on chromium catalyzed ethylene trimerization Journal of Organometallic Chemistry, 694 (9-10). pp. 1297-1307. ISSN 0022-328X

Bhaduri, Sumit ; Mukhopadhyay, Sami ; Kulkarni, Sudhir A. (2006) Role of titanium oxidation states in polymerization activity of Ziegler-Natta catalyst: a density functional study Journal of Organometallic Chemistry, 691 (12). pp. 2810-2820. ISSN 0022-328X

Mukhopadhyay, Sami ; Kulkarni, Sudhir A. ; Bhaduri, Sumit (2005) Density functional study on the role of electron donors in propylene polymerization using Ziegler-Natta catalyst Journal of Organometallic Chemistry, 690 (5). pp. 1356-1365. ISSN 0022-328X

Bhaduri, Sumit ; Mukhopadhyay, Sami ; Kulkarni, Sudhir A. (2003) Origin of variation in polymerization activity for Ziegler-Natta catalyst with chloride and alkoxy ligands: a density functional study Journal of Organometallic Chemistry, 671 (1-2). pp. 101-112. ISSN 0022-328X

Bhaduri, Sumit ; Mukhopadhyay, Sami ; Kulkarni, Sudhir A. (2002) Density functional investigation of incorporation of functional additives to neutral salicylaldiminato Ni(II) polymerization catalyst Journal of Organometallic Chemistry, 654 (1-2). pp. 132-139. ISSN 0022-328X

Kulkarni, Sudhir A. ; Gadre, Shridhar R. (1997) How reliable are topographical characteristics of Hartree-Fock level molecular electron momentum densities? Chemical Physics Letters, 274 (1-3). pp. 255-263. ISSN 0009-2614

Kulkarni, Sudhir A. ; Gadre, Shridhar R. (1996) Electron localization in molecules. A comparative study of scalar fields Journal of Molecular Structure: Theochem, 361 (1-3). pp. 83-91. ISSN 0166-1280

Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Suresh, C.H. ; Shrivastava, Indira H. (1995) Basis set dependence of the molecular electrostatic potential topography. A case study of substituted benzenes Chemical Physics Letters, 239 (4-6). pp. 273-281. ISSN 00092614

Kulkarni, Sudhir A. ; Gadre, Shridhar R. (1993) Probing chemical reactions in momentum space Journal of the American Chemical Society, 115 (16). pp. 7434-7438. ISSN 0002-7863

Gadre, Shridhar R. ; Kulkarni, Sudhir A. (1993) Momentum space investigation of C_2v dissociation of water Proceedings of the Indian Academy of Sciences - Chemical Sciences, 105 (2). pp. 149-153. ISSN 0253-4134

Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Pathak, Rajeev K. (1993) Density-based electron localization function via non local density approximation Journal of Chemical Physics, 98 (4). pp. 3574-3576. ISSN 0021-9606

Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Shrivastava, Indira H. (1992) Molecular electrostatic potentials: a topographical study Journal of Chemical Physics, 96 (7). pp. 5253-5260. ISSN 1674-0068

Kulkarni, Sudhir A. ; Gadre, Shridhar R. ; Pathak, Rajeev K. (1992) Topographical view of molecular electron-momentum densities Physical Review A, 45 (7). pp. 4399-4406. ISSN 1050-2947

Gadre, Shridhar R. ; Limaye, Ajay C. ; Kulkarni, Sudhir A. (1991) Some investigations on symmetry and external properties of molecular electron momentum densities The Journal of Chemical Physics, 94 (12). pp. 8040-8046. ISSN 0021-9606

Gadre, Shridhar R. ; Shrivastava, Indira H. ; Kulkarni, Sudhir A. (1990) Application of rigorous bounds for efficient evaluation of molecular electrostatic potentials Chemical Physics Letters, 170 (2-3). pp. 271-276. ISSN 0009-2614

Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Shrivastava, Indira H. (1990) Cross-entropy minimization for refinement of Gaussian basis sets Chemical Physics Letters, 166 (4). pp. 445-451. ISSN 0009-2614

Kulkarni, Sudhir A. ; Pathak, Rajeev K. ; Gadre, Shridhar R. (1990) Momentum space atomic first-order density matrices and "exchange-only" correlation factors Physical Review A, 42 (5). pp. 2622-2626. ISSN 1050-2947

Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Pathak, Rajeev K. (1989) Reduced first-order density matrices and "exchange-only" correlation factors for some closed-shell atomic systems Physical Review A, 40 (8). pp. 4224-4231. ISSN 1050-2947

Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Pathak, Rajeev K. (1989) Rigorous bounds to molecular electron repulsion and electrostatic potential integrals The Journal of Chemical Physics, 91 (6). pp. 3596-3602. ISSN 0021-9606

Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Shrivastava, Indira H. (1988) Use of second-moment constraints for the refinement of determinantal wave functions Physical Review A, 38 (1). pp. 487-489. ISSN 1050-2947