Abhijit K Das

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Abhijit K



Publications in SciGraph latest 50 shown

  • 2018-06 Theoretical analysis of tautomerization of succinimide and analogous compounds: insights from DFT approach in STRUCTURAL CHEMISTRY
  • 2017-08 Solvolysis of organophosphorus pesticide parathion with simple and α nucleophiles: a theoretical study in JOURNAL OF CHEMICAL SCIENCES
  • 2017-07 Identification and characterization of intramolecular γ-halo interaction in d0 complexes: a theoretical approach in JOURNAL OF MOLECULAR MODELING
  • 2016-07 Investigation of agostic interaction through NBO analysis and its impact on β-hydride elimination and dehydrogenation: a DFT approach in THEORETICAL CHEMISTRY ACCOUNTS
  • 2016-07 Structural and thermodynamic aspects of Lin@Cx endohedral metallofullerenes: a DFT approach in THEORETICAL CHEMISTRY ACCOUNTS
  • 2016-04 Interactions between metal cations with H2 in the M+- H2 complexes: Performance of DFT and DFT-D methods in JOURNAL OF CHEMICAL SCIENCES
  • 2013-08 Association reaction between SiH3 and H2O2: a computational study of the reaction mechanism and kinetics in THEORETICAL CHEMISTRY ACCOUNTS
  • 2013-04 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
  • 2012-06 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
  • 2012-05 Spectroscopic properties, potential energy surfaces and interaction energies of RgClF (Rg = Kr and Xe) van der Waals complexes in THE EUROPEAN PHYSICAL JOURNAL D
  • 2012-02 Structure and coordination in mono and dinuclear Zn(II)-pyrrolidine dithiocarbamate complexes in STRUCTURAL CHEMISTRY
  • 2011-09 Spectroscopy and dissociation of I2–Rg (Rg = Kr and Xe) van der Waals complexes in THEORETICAL CHEMISTRY ACCOUNTS
  • 2011-08 Coupled cluster study of structural properties of RgI and RgI− (Rg = He, Ne, Ar) weakly bound molecules in STRUCTURAL CHEMISTRY
  • 2010-10 Structure, stability and dissociation of silanitriles RSiN (R = H2B, H2N, H2P) in STRUCTURAL CHEMISTRY
  • 2009-12 Theoretical study of the substituent effects on structure and dissociation of RNSi and RSiN (R = H, Li) in STRUCTURAL CHEMISTRY
  • 2009-10 Potential energy surface and thermochemistry for the direct gas phase reaction of germane and water in STRUCTURAL CHEMISTRY
  • 2007-05 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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