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Issue DateTitleAuthor(s)
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
2012Electron correlation and relativistic effects in atomic structure calculations of Th+, Th2+ ionsROY, SK; PRASAD, R; DATTA, SN; CHANDRA, P
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
2007Exact solution of the classical mechanical quadratic Zeeman effectDATTA, SN; PANDEY, A
2001Exact solution of the relativistic dynamics of a spin-(1)/(2) particle moving in a homogeneous magnetic fieldDATTA, SN; MISRA, A
1992EXAMPLES OF THE MINIMAX TECHNIQUE IN RELATIVISTIC ATOMIC ONE-ELECTRON CALCULATIONSDATTA, S; DATTA, SN
1983FLUID-DYNAMICAL REPRESENTATIONS OF THE DIRAC-EQUATIONDATTA, SN
1994Functionalization of a diacetylene on the mixed-chalcogenide compound fe2(co)6(mu-ste) - structural characterization of (co)6fe2(mu-sc(c-equivalent-to-cch3)=c(h)te)MATHUR, P; HOSSAIN, MM; DATTA, SN; KONDRU, RK; BHADBHADE, MM
1987A GENERALIZED TIME-DEPENDENT PSEUDOPOTENTIALDATTA, SN; PRIYADARSHY, S
2013General model for explicitly hole-doped superconductor parent compounds: Electronic structure of Ca2-xNaxCuO2Cl2 as a case studyRIVERO, P; MOREIRA, IDPR; GRAU-CRESPO, R; DATTA, SN; ILLAS, F
2012High Magnetic Exchange Coupling Constants: A Density Functional Theory Based Study of Substituted Schlenk DiradicalsLATIF, IA; HANSDA, S; DATTA, SN
2000High-spin behavior of molecular crystals and extended pi systemsDATTA, SN; MISRA, A; VINODHKUMAR, R
2001Identity of green plant reaction centers from quantum chemical determination of redox potentials of special pairsDATTA, SN; PARANDEKAR, PV; LOCHAN, RC
1997INDO study on the comparison of the nonbonded environments of Q(I) (Q(A)) and Q(II) (Q(B)) in PSUDATTA, SN; MALLIK, B
2009Influence of Solute-Solvent Hydrogen Bonding on Intramolecular Magnetic Exchange Interaction in Aminoxyl Diradicals: A QM/MM Broken-Symmetry DFT StudyALI, ME; OPPENEER, PM; DATTA, SN
2006Integrated kinetics for the production of glucose in plant cells and the effect of temperatureMEHTA, N; PANDA, A; SENGUPTA, S; DATTA, SN
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