Items where Author is "Chakraborty, Debdutta"

Article

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2021) Conceptual density functional theory based electronic structure principles Chemical Science, 12 (18). pp. 6264-6279. ISSN 2041-6520

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2019) Bonding, Reactivity, and Dynamics in Confined Systems The Journal of Physical Chemistry A, 123 (21). pp. 4513-4531. ISSN 1089-5639

Ghara, Manas ; Chakraborty, Debdutta ; Chattaraj, Pratim K. (2018) Confinement induced catalytic activity in a Diels-Alder reaction: comparison among various CB[n], n = 6–8, cavitands Journal of Molecular Modeling, 24 (9). ISSN 1610-2940

Chakraborty, Debdutta ; Das, Ranjita ; Chattaraj, Pratim Kumar (2017) Change in optoelectronic properties of ExBox+4 on functionalization and guest encapsulation Physical Chemistry Chemical Physics, 19 (34). pp. 23373-23385. ISSN 1463-9076

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2017) Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitand Journal of Computational Chemistry, 39 (3). pp. 151-160. ISSN 01928651

Chakraborty, Debdutta ; Das, Ranjita ; Chattaraj, Pratim Kumar (2017) Cover Picture: Does Confinement Always Lead to Thermodynamically and/or Kinetically Favorable Reactions? A Case Study using Diels-Alder Reactions within ExBox+4 and CB[7] (ChemPhysChem 16/2017) ChemPhysChem, 18 (16). p. 2134. ISSN 14394235

Chakraborty, Debdutta ; Das, Ranjita ; Chattaraj, Pratim Kumar (2017) Does Confinement Always Lead to Thermodynamically and/or Kinetically Favorable Reactions? A Case Study using Diels-Alder Reactions within ExBox+4 and CB[7] ChemPhysChem, 18 (16). pp. 2162-2170. ISSN 14394235

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2017) Effect of functionalization of boron nitride flakes by main group metal clusters on their optoelectronic properties Journal of Physics: Condensed Matter, 29 (42). p. 425201. ISSN 0953-8984

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2017) Host-guest interactions between octa acid and cations/nucleobases Journal of Computational Chemistry, 39 (3). pp. 161-175. ISSN 01928651

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2017) Reactions involving some gas molecules through sequestration on Al12 Be cluster: An electron density based study Journal of Computational Chemistry, 39 (10). pp. 535-545. ISSN 01928651

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2016) Optical response and gas sequestration properties of metal cluster supported graphene nanoflakes Physical Chemistry Chemical Physics, 18 (28). pp. 18811-18827. ISSN 1463-9076

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2016) Possible sequestration of polar gas molecules by superhalogen supported aluminum nitride nanoflakes Journal of Molecular Modeling, 22 (11). ISSN 1610-2940

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2016) Sequestration and Activation of Small Gas Molecules on BN-Flakes and the Effect of Various Metal Oxide Molecules therein The Journal of Physical Chemistry C, 120 (49). pp. 27782-27799. ISSN 1932-7447

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2015) Confinement induced binding in noble gas atoms within a BN-doped carbon nanotube Chemical Physics Letters, 621 . pp. 29-34. ISSN 00092614

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2015) In Quest of a Superhalogen Supported Covalent Bond Involving a Noble Gas Atom The Journal of Physical Chemistry A, 119 (12). pp. 3064-3074. ISSN 1089-5639

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2015) Interaction of BN- and BP-doped graphene nanoflakes with some representative neutral molecules and anions Molecular Physics, 113 (19-20). pp. 2916-2929. ISSN 0026-8976

Chakraborty, Debdutta ; Kar, Susmita ; Chattaraj, Pratim Kumar (2015) Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic system Physical Chemistry Chemical Physics, 17 (47). pp. 31516-31529. ISSN 1463-9076

Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2014) Quantum equivalence of a driven triple-well Van der Pol oscillator: A QTM study Chemical Physics, 438 . pp. 7-15. ISSN 03010104

Khatua, Munmun ; Chakraborty, Debdutta ; Chattaraj, Pratim Kumar (2013) Density dynamics in some quantum systems International Journal of Quantum Chemistry, 113 (13). pp. 1747-1771. ISSN 00207608