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1

Association reaction between SiH3and H2O2: a computational study of the reaction mechanism and kinetics

Sen, Kaushik, Mondal, Bhaskar, Pakhira, Srimanta, Sahu, Chandan, Ghosh, Deepanwita, Das, Abhijit K.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2013

Langue:

english

Fichier:

PDF, 1.01 MB

english, 2013

2

Theoretical study of electronic structure and complexation of Pb II (S 2 COR) 2 [R = Me, Et, Ph] complexes

Ghosh, Deepanwita, Bagchi, Sabyasachi, Das, Abhijit K.

Journal:

Molecular Physics

Année:

2012

Langue:

english

Fichier:

PDF, 896 KB

english, 2012

3

Decomposition of O,S-dimethyl methylphosphonothiolate by ammonia on magnesium oxide: a theoretical study of catalytic detoxification of a chemical warfare agent

Sahu, Chandan, Ghosh, Deepanwita, Sen, Kaushik, Das, Abhijit K.

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 6.91 MB

english, 2015

4

New molecular species of potential interest to interstellar chemistry: A theoretical study of MgSiN, MgNSi and related species

Bhaskar Mondal, Deepanwita Ghosh, Abhijit K. Das

Journal:

Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 195 KB

english, 2009

5

Theoretical study of spectroscopy and dissociation of SO2Br2 and SO2I2

Deepanwita Ghosh, Bhaskar Mondal, Abhijit Kumar Das

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 186 KB

english, 2009

6

Thermochemistry for silicic acid formation reaction: Prediction of new reaction pathway

Bhaskar Mondal, Deepanwita Ghosh, Abhijit K. Das

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 299 KB

english, 2009

7

Theoretical study of [Si,O,C,O] species: Prediction of new species on triplet potential energy surface

Bhaskar Mondal, Deepanwita Ghosh, Abhijit K. Das

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 469 KB

english, 2011

8

Potential energy surface and thermochemistry for the direct gas phase reaction of germane and water

Bhaskar Mondal, Indranil Bhattacharyya, Deepanwita Ghosh, Abhijit K. Das

Journal:

Structural Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 379 KB

english, 2009

9

Structure and coordination in mono and dinuclear Zn(II)-pyrrolidine dithiocarbamate complexes

Deepanwita Ghosh, Kaushik Sen, Abhijit K. Das

Journal:

Structural Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 400 KB

english, 2012

10

Computational study on the doublet [H, S, Si, O] isomers: Structure, stability and dissociation

Bhaskar Mondal, Deepanwita Ghosh, Abhijit K. Das

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 300 KB

english, 2010

11

Density functional theory study of interaction, bonding and affinity of group IIb transition metal cations with nucleic acid bases

Sabyasachi Bagchi, Debasish Mandal, Deepanwita Ghosh, Abhijit K. Das

Journal:

Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2012

12

The nature of lead–sulfur interaction in [PbII(S2COEt)n]2−n (n = 1,2,3,4) complexes: topological exploration and formation analysis

Ghosh, Deepanwita, Sen, Kaushik, Bagchi, Sabyasachi, Das, Abhijit K.

Journal:

New Journal of Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 2.09 MB

english, 2013

13

Interaction Between Group IIb Divalent Transition-Metal Cations and 3-Mercaptopropionic Acid: A Computational and Topological Perspective

Bagchi, Sabyasachi, Mandal, Debasish, Ghosh, Deepanwita, Das, Abhijit K.

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 1.90 MB

english, 2013

14

Structure, stability, and dissociation of small ionic silicon oxide clusters [SiOn+(n = 3, 4)]: Insight from density functional and topological exploration

Sen, Kaushik, Ghosh, Deepanwita, Pakhira, Srimanta, Banu, Tahamida, Das, Abhijit K.

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 3.48 MB

english, 2013

15

Computational Study on the Growth of Gallium Nitride and a Possible Source of Oxygen Impurity

Mondal, Bhaskar, Mandal, Debasish, Ghosh, Deepanwita, Das, Abhijit K.

Journal:

Journal of Physical Chemistry A

Année:

2010

Langue:

english

Fichier:

PDF, 2.30 MB

english, 2010

16

Catalytic role of borane and alane in hydrogen release from cyclic amine adducts CnH2n+1N·XH3 [X = B, Al; n = 2–5]: a theoretical interpretation

Sen, Kaushik, Banu, Tahamida, Debnath, Tanay, Ghosh, Deepanwita, Das, Abhijit K.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2014

17

Towards a comprehensive understanding of the chemical vapor deposition of titanium nitride using Ti(NMe2)4: a density functional theory approach

Sen, Kaushik, Banu, Tahamida, Debnath, Tanay, Ghosh, Deepanwita, Das, Abhijit K.

Journal:

Dalton Transactions

Année:

2014

Langue:

english

Fichier:

PDF, 1.94 MB

english, 2014

18

Isomers of OCS and their reaction with H 2 O on singlet potential energy surface

Ghosh, Deepanwita, Mondal, Bhaskar, Bagchi, Sabyasachi, Kumar Das, Abhijit

Journal:

Molecular Physics

Année:

2010

Langue:

english

Fichier:

PDF, 388 KB

english, 2010

19

Arsine and its fluoro, chloro derivatives: a computational thermochemical study

Bagchi, Sabyasachi, Mondal, Bhaskar, Ghosh, Deepanwita, Das, Abhijit K.

Journal:

Molecular Physics

Année:

2010

Langue:

english

Fichier:

PDF, 574 KB

english, 2010

20

Spectroscopy and dissociation of sulfuryl halides SO 2 X 2 (X=F, Cl)

Ghosh, Deepanwita, Mondal, Bhaskar, Kumar Das, Abhijit

Journal:

Molecular Physics

Année:

2009

Langue:

english

Fichier:

PDF, 171 KB

english, 2009

21

Theoretical study of catalytic oxidation of CO on free Pd x O 2+ (x = 4–6) clusters: size dependent comparison of combustion

Sahu, Chandan, Ghosh, Deepanwita, Das, Abhijit K.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 982 KB

english, 2015

22

Molecular hydrogen binding affinities of metal cation decorated substituted benzene systems: insight from computational exploration

Banu, Tahamida, Ghosh, Deepanwita, Debnath, Tanay, Sen, Kaushik, Das, Abhijit K.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 2.49 MB

english, 2015

23

Comprehensive Study of Methylation on the Silicon (100)-2 × 1 Surface: A Density Functional Approach

Debnath, Tanay, Sen, Kaushik, Ghosh, Deepanwita, Banu, Tahamida, Das, Abhijit K.

Journal:

Journal of Physical Chemistry A

Année:

2015

Langue:

english

Fichier:

PDF, 4.68 MB

english, 2015

24

Synthesis, characterization and study of antioxidant activity of quercetin–magnesium complex

Ghosh, Nilanjan, Chakraborty, Tania, Mallick, Sougata, Mana, Supriya, Singha, Deepanwita, Ghosh, Balaram, Roy, Souvik

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2015

Langue:

english

Fichier:

PDF, 1.08 MB

english, 2015

25

Efficient White-Light Generation from Ionically Self-Assembled Triply-Fluorescent Organic Nanoparticles

Das, Susmita, Debnath, Tanay, Basu, Amrita, Ghosh, Deepanwita, Das, Abhijit Kumar, Baker, Gary A., Patra, Amitava

Journal:

Chemistry - A European Journal

Année:

2016

Langue:

english

Fichier:

PDF, 2.97 MB

english, 2016

26

Acute, 28days sub acute and genotoxic profiling of Quercetin-Magnesium complex in Swiss albino mice

Ghosh, Nilanjan, Sandur, Rajendra, Ghosh, Deepanwita, Roy, Souvik, Janadri, Suresh

Journal:

Biomedicine & Pharmacotherapy

Année:

2017

Langue:

english

Fichier:

PDF, 6.73 MB

english, 2017