Anil Kumar

Pós-doutorado

Idiomas

Áreas de atuação

Produções bibliográficas

• KUMAR, Anil ; HOMANN, T. ; JUG, K. . Reaction Mechanism of Chlorosiloxane Ring Formation from SiCl4 and O2. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , Estados Unidos, v. 106, p. 6802-6809, 2002.

• KUMAR, Anil ; SHUKLA, M.k. ; MISHRA, P.c. . An Ab Initio Study of Excited State Molecular Electrostatic Pontetial Maps and Other Related Properties of 5-Fluorouracil: A Comparative Study with Uracil. J Mol Struct Theochem, Estados Unidos, v. 535, p. 269, 2001.

• KUMAR, Anil ; MISHRA, P.c. . An ab initio Study of Molecular Charge Distribution and Electrostatic Properties: Role of Hybridization Displacement Charge. Ind J Chem, Índia, v. 39A, p. 180, 2000.

• KUMAR, Anil ; SHUKLA, M.k. ; MISHRA, P.c. ; MISHRA, S.k. . An ab initio Study of Excited States of Guanine in the Gas Phase and Aqueous Media: Electronic Transitions and Mechanism of Spectral Oscillations. J Comput Chem, Estados Unidos, v. 21, p. 826, 2000.

• KUMAR, Anil ; MISHRA, P.c. . Study of Hybrization Displacement Charge Distribution Using ab initio Wave Functions and Evaluation of Molecular Electrostatic Properties. J Mol Struct Theochem, Estados Unidos, v. 543, p. 99, 2000.

• KUMAR, Anil ; MISHRA, P.c. . Electrostatic Potential Mapping of Some Polycyclic Aromatic Hydrocabon Diol Expoxides Using a Dipole. Int J Quant Chem, Estados Unidos, v. 38, p. 11, 1999.

• KUMAR, Anil ; MISHRA, P.c. . A Modified Hybridization Displacement Charge Scheme for PI-Electron Systems: A Study of Molecular Electrostatic Potential Maps. Int J Quant Chem, Estados Unidos, v. 71, p. 1, 1999.

• KUMAR, Anil ; KUSHWAHA, P.s. ; MISHRA, P.c. . Charge Distributions and Molecular Electrostatic Potentials Around Amino Acids: Usefullness of Hybridization Displacement Charge. Int J Quant Chem, Estados Unidos, v. 74, p. 271, 1999.

• KUMAR, Anil ; MISHRA, P.c. ; MOHAN, C. Gopi . Influence of Hybridization Displacement Charge on the Description of Electrostatic Potentials of Molecules with Multiple Electrophilic Sites. Int J Quant Chem, Estados Unidos, v. 62, p. 67, 1997.

• KUMAR, Anil ; MOHAN, C. Gopi ; MISHRA, P.c. . Molecular Electrostatic Potential and Field as Descriptors of Hydrogen Bonding and Molecular Activity: Effects of Hybridization Displacement Charge. J Mol Struct Theochem, Alemanha, v. 361, p. 135, 1996.

• KUMAR, Anil ; MISHRA, P.c. . Molecular Electrostatic Potentials and Fields: Hydrogen Bonding, Recognition, Reactivity and Modelling. Theoretical And Computational Chemistry Book Series, Alemanha, v. 3, 1996.

• KUMAR, Anil ; MOHAN, C. Gopi ; MISHRA, P.c. . An Optimised Approach to Compute Hybridization Displacement Charge and a Study of its Effects on Electrostatic Potentials of Some Biologically Important Molecules. Int J Quant Chem, Estados Unidos, v. 60, p. 699, 1996.

• KUMAR, Anil ; MOHAN, C.g. ; MISHRA, P.c. . Electric Field Mapping and Structure-Activity Relationship for Some Dihydropyridazinone Cardiotonics. J Mol Scruct Theochem, Índia, v. 332, p. 171, 1995.

• KUMAR, Anil ; MISHRA, P.c. . Mapping of Molecular Electric Potentials and Fields. Under The Series Topics In Current Chemistry, Índia, v. 174, p. 27, 1995.

• KUMAR, Anil ; MOHAN, C.g. ; MISHRA, P.c. . Hybridization Displacement Charge in Molecules and Its Effets on Electrostatic Potentials and Fields. Int J Quant Chem, Estados Unidos, v. 55, p. 53, 1995.

• KUMAR, Anil ; MISHRA, P.c. . Structure-Activity Relationship for Some Anti-Viral Acyclic Nucleosides Using Electric Field Mapping. J Mol Struct Theochem, Estados Unidos, v. 288, p. 151, 1993.

• KUMAR, Anil ; MOHAN, C.g. ; MISHRA, P.c. . Electric Field Mapping of Some Anions and Cations of Adenine and Guanine. Int J Quant Chem, Estados Unidos, v. 48, p. 233, 1993.

• KUMAR, Anil ; MISHRA, P.c. . Electric Field Mapping of Substituted 3-Pyridine Carboxylic Acid Cardiotonics and the Possible Structure-Activity Relationships. Int J Quant Chem, Estados Unidos, v. 43, p. 579, 1992.

• KUMAR, Anil ; MISHRA, P.c. . Structure-Activity Relationships for Some Anti-HIV Drugs Using Electric Field Mapping. J Mol Struct Theochem, Estados Unidos, v. 277, p. 299, 1992.

• KUMAR, Anil ; MISHRA, P.c. . Electric Field Mapping of Bipyridine Cardiotonics: Amrinone and Milrinone. J Mol Struct Theochem, Estados Unidos, v. 251, p. 359, 1991.

• KUMAR, Anil ; MISHRA, P.c. . A New Atomic Orbital Overlap Dependent Formula for Two-Centre Electron-Repulsion Integrals. Ind J Pure Appl Phys, Índia, v. 28, p. 206, 1990.

• KUMAR, Anil ; MISHRA, P.c. . Study of Cation Binding in the Ground and n-pi* Excited States of Some Molecules by Electrostatic Potential Mapping. Ind J Pure Appl Phys, Índia, v. 28, p. 440, 1990.

• KUMAR, Anil ; MISHRA, P.c. . CNDUPC: Computation of Electronic Spectra Using the SCF CNDO-CI Method. Scientific Software Adoted To Ibm Pc Compatible Computer, Estados Unidos, v. 9, p. 67, 1989.

• KUMAR, Anil ; MISHRA, P.c. . Electrostatic Potential Mapping of Nucleic Acid Constituents:I. Guanine, Cytosine and the G-C Base Pair. Proc Ind Acad Sci Chem Sci, Índia, v. 101, p. 55, 1989.

• KUMAR, Anil ; MISHRA, P.c. . Electrostatic Potential Mapping of Adenine. Ind J Biochem Biophys, Índia, v. 25, p. 392, 1988.

• KUMAR, Anil ; MISHRA, P.c. . Molecular Electrostatic Potential Mapping using a Dipole. Proc Indi Acad Sci Chem Sci, Índia, v. 99, p. 113, 1987.

• KUMAR, Anil ; MISHRA, P.c. . Evaluation of one-centre electron interaction integrals over Slater-type atomic orbitals. Pramana J Phis, Índia, v. 29, p. 385, 1987.

• KUMAR, Anil ; MISHRA, P.c. . CNDOIPC: Program for the Calculation of Electronic Spectra of Molecules. Scientific Software Adopted To Ibm Pc Compatible Computer, Estados Unidos, v. 7, p. 137, 1987.