Items where Author is "Saharay, Moumita"

Article

Saharay, Moumita ; Balasubramanian, Sundaram (2009) Ab initio molecular dynamics investigations of structural, electronic and dynamical properties of water in supercritical carbon dioxide Indian Journal of Physics, 83 (1). pp. 13-29. ISSN 0019-5480.

Saharay, Moumita ; Balasubramanian, Sundaram (2007) Evolution of intermolecular structure and dynamics in supercritical carbon dioxide with pressure:  an ab initio molecular dynamics study The Journal of Physical Chemistry B, 111 (2). pp. 387-392. ISSN 1520-6106

Saharay, Moumita ; Balasubramanian, Sundaram (2006) Electron donor-acceptor interactions in ethanol-CO₂ mixtures: an ab Initio molecular dynamics study of supercritical carbon dioxide The Journal of Physical Chemistry B, 110 (8). pp. 3782-3790. ISSN 1089-5647

Saharay, Moumita ; Balasubramanian, Sundaram (2004) Enhanced molecular multipole moments and solvent structure in supercritical carbon dioxide ChemPhysChem, 5 (9). pp. 1442-1445. ISSN 1439-4235

Saharay, Moumita ; Balasubramanian, Sundaram (2004) Ab initio molecular-dynamics study of supercritical carbon dioxide The Journal of Chemical Physics, 120 (20). pp. 9694-9702. ISSN 0021-9606