Items where Author is "Balanarayan, P."

Roy, Dhimoy K. ; Balanarayan, P. ; Gadre, Shridhar R. (2009) Signatures of molecular recognition from the topography of electrostatic potential Journal of Chemical Sciences, 121 (5). pp. 815-821. ISSN 0253-4134

Roy, D. ; Balanarayan, P. ; Gadre, Shridhar R. (2008) An appraisal of Poincaré-Hopf relation and application to topography of molecular electrostatic potentials The Journal of Chemical Physics, 129 (17). pp. 174103_1-174103_6. ISSN 0021-9606

Balanarayan, P. ; Kavathekar, Ritwik ; Gadre, Shridhar Ramchandra (2007) Electrostatic potential topography for exploring electronic reorganizations in 1,3 dipolar cycloadditions Journal of Physical Chemistry A, 111 (14). pp. 2733-2738. ISSN 1089-5639

Ganesh, V. ; Dongare, Rameshwar K. ; Balanarayan, P. ; Gadre, Shridhar R. (2006) Molecular tailoring approach for geometry optimization of large molecules: energy evaluation and parallelization strategies Journal of Chemical Physics, 125 (10). pp. 104109_1-104109_10. ISSN 1674-0068

Balanarayan, P. ; Gadre, Shridhar R. (2006) Atoms-in-molecules in momentum space: a Hirshfeld partitioning of electron momentum densities The Journal of Chemical Physics, 124 (20). pp. 204113_1-204113_7. ISSN 0021-9606

Balanarayan, P. ; Gadre, Shridhar R. (2006) Can ring strain be realized in momentum space? Journal of the American Chemical Society, 128 (33). pp. 10702-10706. ISSN 0002-7863

Balanarayan, P. ; Gadre, Shridhar R. (2005) Topography of molecular scalar fields. II. An appraisal of the hierarchy principle for electron momentum densities The Journal of Chemical Physics, 122 (16). pp. 164108_1-164108_9. ISSN 0021-9606

Balanarayan, P. ; Gadre, Shridhar R. (2005) Why are carborane acids so acidic? An electrostatic interpretation of bronsted acid strengths Inorganic Chemistry, 44 (26). pp. 9613-9615. ISSN 0020-1669

Balanarayan, P. ; Gadre, Shridhar R. (2003) Topography of molecular scalar fields. I. Algorithm and Poincaré-Hopf relation The Journal of Chemical Physics, 119 (10). pp. 5037-5043. ISSN 0021-9606

Mehta, Goverdhan ; Robindro Singh, S. ; Balanarayan, P. ; Gadre, Shridhar R. (2002) Electrophilic additions to a 2-methylenebicyclo[2.1.1]hexane system: probing π-face selectivity for electrostatic and orbital effects Organic Letters, 4 (14). pp. 2297-2300. ISSN 1523-7060