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DSpace at IIT Bombay >
Browsing by Author DATTA, SN
Showing results 1 to 20 of 91
| Issue Date | Title | Author(s) | | 1980 | ABINITIO EFFECTIVE POTENTIALS IN CRYSTAL HARTREE-FOCK THEORY | DATTA, SN |
| 1993 | AB-INITIO HARTREE-FOCK SELF-CONSISTENT-FIELD CALCULATIONS - AN INDIGENOUS DEVELOPMENT OF COMPUTER-PROGRAMS | DATTA, SN |
| 1993 | AB-INITIO NONRELATIVISTIC AND RELATIVISTIC HARTREE-FOCK CALCULATIONS FOR BOTH CLOSED-SHELL AND OPEN-SHELL MOLECULES USING GTO BASIS | DATTA, SN |
| 2005 | Ab initio quantum chemical investigation of intramolecular magnetic interaction in some diradical derivatives of imino nitroxide and nitronyl nitroxide | ALI, ME; VYAS, S; DATTA, SN |
| 2003 | Ab initio quantum chemical investigation of the spin states of some chain and monocyclic diradicals | DATTA, SN; MUKHERJEE, P; JHA, PP |
| 2004 | Ab initio quantum chemical investigation of the spin states of some fused ring systems | DATTA, SN; JHA, PP; ALI, ME |
| 2009 | All-temperature magnon theory of ferromagnetism | DATTA, SN; PANDA, A |
| 1984 | ANALYSIS AND MERIT OF THE CONSTRAINED-COMPONENT VARIATION IN DIRAC THEORY | DATTA, SN; JAGANNATHAN, S |
| 1989 | Bound-state solutions of the 2-electron dirac-coulomb equation | DATTA, SN; RAO, RM |
| 1992 | BOUND-STATE SOLUTIONS OF THE 2-ELECTRON DIRAC-COULOMB EQUATION | DATTA, SN |
| 2006 | Broken-symmetry density functional theory investigation on bis-nitronyl nitroxide diradicals: Influence of length and aromaticity of couplers | ALI, ME; DATTA, SN |
| 2009 | Comparison between implicit and hybrid solvation methods for the determination of pK (a) of mono-protonated form of 13(2)-(demethoxycarbonyl) pheophytin a in methanol | MEHTA, N; DATTA, SN |
| 2007 | Computational strategies for redox processes in condensed phase: Both explicit and implicit solvation treatments | MEHTA, N; DATTA, SN |
| 1984 | Conditions for the relativistic virial-theorem for one electron | DATTA, SN |
| 2006 | Density functional theory prediction of enhanced photomagnetic properties of nitronyl nitroxide and imino nitroxide diradicals with substituded dihydropyrene couplers | ALI, ME; DATTA, SN |
| 2005 | Derivation of quantum Langevin equation from an explicit molecule-medium treatment in interaction picture | DATTA, SN |
| 1995 | DETERMINATION OF THE ACID DISSOCIATION-CONSTANTS OF P-BENZOHYDROQUINONE BY THE INDO METHOD | DATTA, SN; MALLIK, B |
| 1982 | DIRAC-HARTREE-FOCK THEORY AND COMPUTATIONAL-PROCEDURE FOR MOLECULES | DATTA, SN; EWIG, CS |
| 1999 | Electronic structure of a Rieske iron-sulfur complex and the calculation of its reduction potential | DATTA, SN; NEHRA, V; JHA, A |
| 1999 | Electronic structure of cytochrome f and its oxidation potential | DATTA, SN; PRABHAKAR, BGS; NEHRA, V |
Showing results 1 to 20 of 91
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