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Browsing by Author DATTA, SN

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Issue DateTitleAuthor(s)
1980ABINITIO EFFECTIVE POTENTIALS IN CRYSTAL HARTREE-FOCK THEORYDATTA, SN
1993AB-INITIO HARTREE-FOCK SELF-CONSISTENT-FIELD CALCULATIONS - AN INDIGENOUS DEVELOPMENT OF COMPUTER-PROGRAMSDATTA, SN
1993AB-INITIO NONRELATIVISTIC AND RELATIVISTIC HARTREE-FOCK CALCULATIONS FOR BOTH CLOSED-SHELL AND OPEN-SHELL MOLECULES USING GTO BASISDATTA, SN
2005Ab initio quantum chemical investigation of intramolecular magnetic interaction in some diradical derivatives of imino nitroxide and nitronyl nitroxideALI, ME; VYAS, S; DATTA, SN
2003Ab initio quantum chemical investigation of the spin states of some chain and monocyclic diradicalsDATTA, SN; MUKHERJEE, P; JHA, PP
2004Ab initio quantum chemical investigation of the spin states of some fused ring systemsDATTA, SN; JHA, PP; ALI, ME
2009All-temperature magnon theory of ferromagnetismDATTA, SN; PANDA, A
1984ANALYSIS AND MERIT OF THE CONSTRAINED-COMPONENT VARIATION IN DIRAC THEORYDATTA, SN; JAGANNATHAN, S
1989Bound-state solutions of the 2-electron dirac-coulomb equationDATTA, SN; RAO, RM
1992BOUND-STATE SOLUTIONS OF THE 2-ELECTRON DIRAC-COULOMB EQUATIONDATTA, SN
2006Broken-symmetry density functional theory investigation on bis-nitronyl nitroxide diradicals: Influence of length and aromaticity of couplersALI, ME; DATTA, SN
2009Comparison between implicit and hybrid solvation methods for the determination of pK (a) of mono-protonated form of 13(2)-(demethoxycarbonyl) pheophytin a in methanolMEHTA, N; DATTA, SN
2007Computational strategies for redox processes in condensed phase: Both explicit and implicit solvation treatmentsMEHTA, N; DATTA, SN
1984Conditions for the relativistic virial-theorem for one electronDATTA, SN
2006Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplersALI, ME; DATTA, SN
2005Derivation of quantum Langevin equation from an explicit molecule-medium treatment in interaction pictureDATTA, SN
1995DETERMINATION OF THE ACID DISSOCIATION-CONSTANTS OF P-BENZOHYDROQUINONE BY THE INDO METHODDATTA, SN; MALLIK, B
1982DIRAC-HARTREE-FOCK THEORY AND COMPUTATIONAL-PROCEDURE FOR MOLECULESDATTA, SN; EWIG, CS
1999Electronic structure of a Rieske iron-sulfur complex and the calculation of its reduction potentialDATTA, SN; NEHRA, V; JHA, A
1999Electronic structure of cytochrome f and its oxidation potentialDATTA, SN; PRABHAKAR, BGS; NEHRA, V
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