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Showing results 2 to 21 of 26
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Issue DateTitleAuthor(s)
2011C-H center dot center dot center dot O/N hydrogen bonded complexes of FKrCCH are stronger than FCCH complexes: Effect of rare gas insertionSINGH, PC
2015Ferromagnetic Nature of Silicon-Substituted Meta-Xylylene PolyradicalsHANSDA, S; PAL, AK; DATTA, SN
2014Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalismALAM, A; KHAN, SN; SMIRNOV, AV; NICHOLSON, DM; JOHNSON, DD
2014Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalismALAM, A; KHAN, SN; SMIRNOV, AV; NICHOLSON, DM; JOHNSON, DD
2015Identification of unusual C-Cl/center dot center dot center dot pi contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: effect of N-substituents on crystal packing, fluorescence, redox and anti-microbial propertiesSINGH, VK; VERMA, SK; KADU, R; MOBIN, SM
2011Isomeric Complexes of [Ru(II)(trpy)(L)Cl] (trpy=2,2 ':6 ',2 ''-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation ProcessCHOWDHURY, AD; DAS, A; IRSHAD, K; MOBIN, SM; LAHIRI, GK
2011Isomeric Complexes of [Ru(II)(trpy)(L)Cl] (trpy=2,2 ':6 ',2 ''-Terpyridine and HL = Quinaldic Acid): Preference of Isomeric Structural Form in Catalytic Chemoselective Epoxidation ProcessCHOWDHURY, AD; DAS, A; IRSHAD, K; MOBIN, SM; LAHIRI, GK
2014Large-scale first principles configuration interaction calculations of optical absorption in aluminum clustersSHINDE, R; SHUKLA, A
2014Large-scale first principles configuration interaction calculations of optical absorption in aluminum clustersSHINDE, R; SHUKLA, A
2011Mechanistic Insights on N-Heterocyclic Carbene-Catalyzed Annulations: The Role of Base-Assisted Proton TransfersVERMA, P; PATNI, PA; SUNOJ, RB
2011Mechanistic Insights on N-Heterocyclic Carbene-Catalyzed Annulations: The Role of Base-Assisted Proton TransfersVERMA, P; PATNI, PA; SUNOJ, RB
2013Optical absorption in boron clusters B-6 and B-6(+): a first principles configuration interaction singles approachSHINDE, R; SHUKLA, A
2014ortho-Hydroxylation of aromatic acids by a non-heme Fe-V=O species: how important is the ligand design?ANSARI, A; RAJARAMAN, G
2015The propargylbenzene dimer: C-H center dot center dot center dot pi assisted pi-pi stackingKUNDU, A; SEN, S; PATWARI, GN
2011Quantification of binding affinities of essential sugars with a tryptophan analogue and the ubiquitous role of C-H center dot center dot center dot pi interactionsKUMARI, M; BALAJI, PV; SUNOJ, RB
2015Quantum Chemical Investigation of meta-Xylylene Based One-Dimensional Polymer ChainPAL, AK; HANSDA, S; DATTA, SN
2015Relationship between coupling constants in Heisenberg exchange Hamiltonian and Ising modelDATTA, SN; HANSDA, S
2014Remarkable Hydrogen Storage on Beryllium Oxide Clusters: First-Principles CalculationsSHINDE, R; TAYADE, M
2012Role of Explicit Solvents in Palladium(II)-Catalyzed Alkoxylation of Arenes: An Interesting Paradigm for Preferred Outer-Sphere Reductive Elimination over Inner-Sphere PathwayANAND, M; SUNOJ, RB
2012Selective recognition of fluoride and acetate by a newly designed ruthenium framework: experimental and theoretical investigationsKUNDU, T; CHOWDHURY, AD; DE, D; MOBIN, SM; PURANIK, VG; DATTA, A; LAHIRI, GK
Showing results 2 to 21 of 26
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