Abhijit Kumar Das


Ontology type: schema:Person     


Person Info

NAME

Abhijit Kumar

SURNAME

Das

Publications in SciGraph latest 50 shown

  • 2019-07-04 Comprehensive understanding of multiple binding of D-penicillamine with Cu2+-hexa aqua complex: a DFT approach in STRUCTURAL CHEMISTRY
  • 2019-04-13 Exploration of tautomerizations of succinimide and maleimide assisted by ammonia and methanol: a theoretical perspective in THEORETICAL CHEMISTRY ACCOUNTS
  • 2019-01-12 Formation of stable ionized complexes between coinage metal containing superhalogens and moderately reactive molecules: a DFT approach in STRUCTURAL CHEMISTRY
  • 2018-11-08 H2-release from alcohols, diols, and compounds with amino functionality promoted by titanium(II) sandwich complex, [Cp2Ti]: a theoretical approach in STRUCTURAL CHEMISTRY
  • 2018-09-21 Towards a comprehensive understanding of the Si(100)-2×1 surface termination through hydrogen passivation using methylamine and methanol: a theoretical approach in JOURNAL OF MOLECULAR MODELING
  • 2018-07-31 Theoretical exploration of H2X (X = O, S, Se) and HY (Y = F, Cl, Br) assisted H2-release from ammonia-borane and related compounds: mechanistic insights from theoretical viewpoint in THEORETICAL CHEMISTRY ACCOUNTS
  • 2018-01-15 Theoretical analysis of tautomerization of succinimide and analogous compounds: insights from DFT approach in STRUCTURAL CHEMISTRY
  • 2017-07-01 Solvolysis of organophosphorus pesticide parathion with simple and α nucleophiles: a theoretical study in JOURNAL OF CHEMICAL SCIENCES
  • 2017-06-24 Identification and characterization of intramolecular γ-halo interaction in d0 complexes: a theoretical approach in JOURNAL OF MOLECULAR MODELING
  • 2016-07-04 Investigation of agostic interaction through NBO analysis and its impact on β-hydride elimination and dehydrogenation: a DFT approach in THEORETICAL CHEMISTRY ACCOUNTS
  • 2016-06-18 Structural and thermodynamic aspects of Lin@Cx endohedral metallofullerenes: a DFT approach in THEORETICAL CHEMISTRY ACCOUNTS
  • 2016-03-01 Interactions between metal cations with H2 in the M+- H2 complexes: Performance of DFT and DFT-D methods in JOURNAL OF CHEMICAL SCIENCES
  • 2013-06-09 Association reaction between SiH3 and H2O2: a computational study of the reaction mechanism and kinetics in THEORETICAL CHEMISTRY ACCOUNTS
  • 2012-08-10 Dispersion corrected double high-hybrid and gradient-corrected density functional theory study of light cation–dihydrogen (M+–H2, where M = Li, Na, B and Al) van der Waals complexes in STRUCTURAL CHEMISTRY
  • 2012-05-23 Spectroscopic properties, potential energy surfaces and interaction energies of RgClF (Rg = Kr and Xe) van der Waals complexes in THE EUROPEAN PHYSICAL JOURNAL D
  • 2011-11-26 Theoretical study of spectroscopy, interaction, and dissociation of linear and T-shaped isomers of RgClF (Rg = He, Ne, and Ar) van der Waals complexes in STRUCTURAL CHEMISTRY
  • 2011-08-26 Structure and coordination in mono and dinuclear Zn(II)-pyrrolidine dithiocarbamate complexes in STRUCTURAL CHEMISTRY
  • 2011-06-22 Spectroscopy and dissociation of I2–Rg (Rg = Kr and Xe) van der Waals complexes in THEORETICAL CHEMISTRY ACCOUNTS
  • 2011-03-12 Coupled cluster study of structural properties of RgI and RgI− (Rg = He, Ne, Ar) weakly bound molecules in STRUCTURAL CHEMISTRY
  • 2010-06-11 Structure, stability and dissociation of silanitriles RSiN (R = H2B, H2N, H2P) in STRUCTURAL CHEMISTRY
  • 2009-09-27 Theoretical study of the substituent effects on structure and dissociation of RNSi and RSiN (R = H, Li) in STRUCTURAL CHEMISTRY
  • 2009-06-25 Potential energy surface and thermochemistry for the direct gas phase reaction of germane and water in STRUCTURAL CHEMISTRY
  • 2007-02-14 Theoretical study of structural properties and dissociation pathways of FCN and ClCN in THE EUROPEAN PHYSICAL JOURNAL D
  • 2003-11 Molecular properties of selected diatomic molecules of astrophysical interest in THE EUROPEAN PHYSICAL JOURNAL D
  • 2001-04 Radiative transitions in highly ionised silicon-like ions in THE EUROPEAN PHYSICAL JOURNAL D
  • 1999-07 Doubly excited triplet states of highly stripped ions in THE EUROPEAN PHYSICAL JOURNAL D
  • 1994-10 Doubly excited3Se,3De and3Ge states of two-electron atomic systems in THEORETICAL CHEMISTRY ACCOUNTS
  • 1993-06 Doubly excited triplet states of the helium isoelectronic sequence in ZEITSCHRIFT FÜR PHYSIK D ATOMS,MOLECULES AND CLUSTERS
  • 1993-05 Singly excited bound states in continuum: a time-dependent perturbation approach in THEORETICAL CHEMISTRY ACCOUNTS
  • 1992-05 Static dipole polarizabilities of open-shell negative ions in THEORETICAL CHEMISTRY ACCOUNTS
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