Items where Author is "Rai, D. K."

Article

Singh, Kamalendra ; Rai, D. K. ; Yadav, J. S. (1991) MINDO/3 and MNDO studies of some thio analogues of nucleic acid bases Journal of Molecular Structure: Theochem, 231 . pp. 103-107. ISSN 0166-1280

Yadav, P. N. S. ; Rai, D. K. ; Yadav, J. S. (1989) Conformational studies of bacterial peptidoglycan: structure and stereochemistry of N-acetyl-β-D-glucosamine and N-acetyl-β-D-muramic acid Journal of Molecular Structure, 194 . pp. 19-31. ISSN 0022-2860

Yadav, L. S. ; Yadav, J. S. ; Rai, D. K. (1988) Interatomic and intraatomic analysis of the density matrix: applications to chlorobenzenes Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (4). pp. 315-321. ISSN 0253-4134

Yadav, J. S. ; Mishra, P. C. ; Rai, D. K. (1975) Approximate SCF CI calculation of excited state geometries of phenol, aniline, para-fluorophenol and para-fluoroaniline Chemical Physics Letters, 31 (1). pp. 129-133. ISSN 0009-2614

Yadav, J. S. ; Mishra, P. C. ; Rai, D. K. (1973) CNDO CI study of electronic structure and geometry in ground and excited states. Ortho- and meta- difluorobenzenes Chemical Physics Letters, 19 (3). pp. 445-447. ISSN 0009-2614

Yadav, J. S. ; Mishra, P. C. ; Rai, D. K. (1973) CNDO-CI study of electronic structure and molecular geometry in ground and excited states Molecular Physics, 26 (1). pp. 193-201. ISSN 0026-8976

Yadav, J. S. ; Mishra, P. C. ; Rai, D. K. (1972) Calculation of molecular dipole moments using CNDO and INDO methods Journal of Molecular Structure, 13 (2). pp. 311-313. ISSN 0022-2860

Yadav, J. S. ; Mishra, P. C. ; Rai, D. K. (1972) Ultraviolet spectra and structure of the isomeric dihydroxy- and diamino-substituted benzenes Journal of Molecular Structure, 13 (2). pp. 253-259. ISSN 0022-2860

Yadav, J. S. ; Mishra, P. G. ; Rai, D. K. (1972) All valence electron molecular orbital study of electronic strture and spectra of the three isometric xylenes Spectroscopy Letters, 5 (12). pp. 471-476. ISSN 0038-7010