List of publications in refereed Scientific Journals:
  1. "Chain-length and Geometry Dependence of NLO Properties in Donor Acceptor Molecules,"

    V. Keshari and S. P. Karna, Int. J. Quantum. Chem., submitted for publication.

  2. Hyperpolarizabilities of Organic Molecules: Ab initio Time Dependent Coupled Perturbed Hartree-Fock Roothaan Studies of Primary Heterocyclic Structures;

    Vijaya Keshari, Wijekoon M. K. P.Wijkoon, Shashi P. Karna and Paras N. Prasad, J. Phys. Chem. 99 (1995) 9045.

  3. Geometrical effect on the nonlinear optical properties of model rigid-rod polymers:Ab initio Time-Dependent Coupled Hartree-Fock-Roothaan Studies;

    Shashi P. Karna, Vijaya Keshari and Paras N. Prasad, Chem. Phys. Lett. 234 (1995) 390.

  4. First-Principles Monte Carlo Simulated Annealing Study of the Structures and Properties of Hydrogenated Lithium Clusters;

    Vijaya Keshari and Yasuyuki Ishikawa, Int. J. of Quant. Chemistry , Quantum Chemistry Symposium 28, (1994) 541.

  5. Ab initio Monte Carlo Simulated Annealing method;

    Vijaya Keshari and Yasuyuki Ishikawa, Chem. Phys. Lett. 218 (1994) 406.

  6. Ab initio study of NO2 : Part IV. Vibrational Levels of the Ground Electronic State of NO2 in Both the Diabatic and Adiabatic Representation of the Potential;

    E. Leonardi,Petrongolo, V. Keshari, G. Hirsch and R. J. Buenker, Mol Phys. 82 (1994) 553.

  7. Ab initio Time-Dependent Coupled Perturbed Hartree-Fock Studies of Optical Nonlinearities of Organic Molecule: Alkyl Derivatives of 4-Amino-b-nitrostyrene;

    Vijaya Keshari, Shashi P. Karna and Paras N. Prasad, J. Phys. Chem. 97 (1993) 3525.

  8. The Role of Bond Centered Functions in Calculation of Nuclear Quadrupole Coupling Constant of 2H, and 14N Nuclei in HCN and HNC molecules;

    G. Prasad, V. Keshari and P. Chandra, J. Mol. Struct. 192 (1989) 253.

  9. Ab initio Calculation of Nuclear Quadrupole Coupling Constants of 2H, 7Li and 35Cl in LiCl and HCl molecules;

    A. Lal, V. Keshari and P. Chandra, J. Mol. Struct. 192 (1989) 263.

  10. Ab initio Calculation of Nuclear Quadrupole Coupling Constants of 2H, and 17O in Water Molecule;

    V. Keshari, S. P. Karna and P. Chandra, J. Mol. Struct. 192 (1989) 271.