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DSpace at IIT Bombay >
Browsing by Subject ab-initio
Showing results 18 to 31 of 31
| Issue Date | Title | Author(s) | | 2008 | The role of noninnocent solvent molecules in organocatalyzed asymmetric michael addition reactions | PATIL, MP; SUNOJ, RB |
| 2004 | Selectivities in the 1,3-dipolar cycloaddition of nitrile oxides to dicyclopentadiene and its derivatives | NAMBOOTHIRI, INN; RASTOGI, N; GANGULY, B; MOBIN, SM; COJOCARU, M |
| 2009 | SOLVENT EFFECTS ON THE DISPERSION OF LINEAR POLARIZABILITY AND FIRST HYPERPOLARIZABILITY OF PARA-NITROANILINE USING POLARIZABLE CONTINUUM MODEL | MAKWANI, D; VIJAYA, R |
| 2005 | Theoretical and experimental evidence for a new kind of spin-coupled singlet species: Isomeric mixed-valent complexes bridged by a radical anion ligand | SARKAR, B; PATRA, S; FIEDLER, J; SUNOJ, RB; JANARDANAN, D; MOBIN, SM; NIEMEYER, M; LAHIRI, GK; KAIM, W |
| 2004 | Theoretical calculations on electronic structure and catalytic reaction of organo-f-element complexes | LUO, Y; SELVAM, P; KOYAMA, M; KUBO, M; MIYAMOTO, A |
| 2004 | Theoretical determination of the standard reduction potential of plastocyanin in vitro | DATTA, SN; SUDHAMSU, J; PANDEY, A |
| 2006 | Theoretical investigation of C-H center dot center dot center dot H-B dihydrogen bonded complexes of acetylenes with borane-trimethylamine | SINGH, PC; PATWARI, GN |
| 2007 | Theoretical investigation of in-plane hydrogen-bonded complexes of ammonia with partially substituted fluorobenzenes | SINGH, PC; RAY, M; PATWARI, GN |
| 2005 | Theoretical investigation of intramolecular magnetic interaction through an ethylenic coupler | VYAS, S; ALI, ME; HOSSAIN, E; PATWARDHAN, S; DATTA, SN |
| 2006 | Theoretical investigation of magnetic properties of a dinuclear copper complex [Cu-2(mu-OAc)(4)(MeNHph)(2)] | ALI, ME; DATTA, SN |
| 2010 | TiCl(4)-Promoted Baylis-Hillman Reaction: Mechanistic Rationale toward Product Distribution and Stereoselectivity | PATEL, C; SUNOJ, RB |
| 2005 | Tight-binding quantum chemical molecular dynamics method: a novel approach to the understanding and design of new materials and catalysts | SELVAM, P; TSUBOI, H; KOYAMA, M; KUBO, M; MIYAMOTO, A |
| 2009 | Very Strongly Ferromagnetically Coupled Diradicals from Mixed Radical Centers: Nitronyl Nitroxide Coupled to Oxoverdazyl via Polyene Spacers | LATIF, IA; PANDA, A; DATTA, SN |
| 2008 | Water Catalysis in the Morita-Baylis-Hillman Reaction: A Mechanistic Perspective | ROY, D; SUNOJ, RB |
Showing results 18 to 31 of 31
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