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1

Comprehensive analysis of bandgap and nanotwinning in Cd(1-x)MgxS QDs

Kalsi, Tania, Mitra, Hrishi, Roy, Tapta Kanchan, Godara, Sachin Kumar, Kumar, Pragati

Journal:

Crystal Growth & Design

Year:

2020

File:

PDF, 1.20 MB

2020

2

Terminal functionalized hydroxyl-terminated polybutadiene: An energetic binder for propellant

Rajavelu Murali Shankar, Tapta Kanchan Roy, Tushar Jana

Journal:

Journal of Applied Polymer Science

Year:

2009

Language:

english

File:

PDF, 614 KB

english, 2009

3

Effective harmonic oscillator description of anharmonic molecular vibrations

Tapta Kanchan Roy, M. Durga Prasad

Journal:

Journal of Chemical Sciences

Year:

2009

Language:

english

File:

PDF, 495 KB

english, 2009

4

ChemInform Abstract: Ruthenium Catalyzed Intramolecular C-S Coupling Reactions: Synthetic Scope and Mechanistic Insight.

Sharma, Shivani, Pathare, Ramdas S., Maurya, Antim K., Gopal, Kandasamy, Roy, Tapta Kanchan, Sawant, Devesh M., Pardasani, Ram T.

Journal:

Year:

2016

File:

PDF, 24 KB

2016

5

A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy

Roy, Tapta Kanchan, Nagornova, Natalia S., Boyarkin, Oleg V., Gerber, Robert Benny

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 3.93 MB

english, 2017

6

Azo-dyes based small bifunctional molecules for metal chelation and controlling amyloid formation

Rana, Monika, Cho, Hong-Jun, Roy, Tapta Kanchan, Mirica, Liviu M., Sharma, Anuj K.

Journal:

Inorganica Chimica Acta

Year:

2017

Language:

english

File:

PDF, 800 KB

english, 2017

7

Frontispiz: A Tandem In Situ Peptide Cyclization through Trifluoroacetic Acid Cleavage

Chandra, Koushik, Roy, Tapta Kanchan, Shalev, Deborah E., Loyter, Abraham, Gilon, Chaim, Gerber, R. Benny, Friedler, Assaf

Journal:

Angewandte Chemie

Year:

2014

File:

PDF, 892 KB

2014

8

Conjugated Small Organic Molecules: Synthesis and Characterization of 4- Arylpyrazole-decorated Dibenzothiophenes

Bhanuchandra, M., Panda, Satyajit, Jat, Ram Singh, Fayaz, Amir, Saha, Jony, Thirumoorthi, Ramalingam, Roy, Tapta Kanchan

Journal:

New Journal of Chemistry

Year:

2020

File:

PDF, 2.03 MB

2020

9

Approximate First-Principles Anharmonic Calculations of Polyatomic Spectra Using MP2 and B3LYP Potentials: Comparisons with Experiment

Roy, Tapta Kanchan, Carrington, Tucker, Gerber, R. Benny

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 523 KB

english, 2014

10

A catalyst-free, one-pot multicomponent synthesis of spiro-benzimidazoquinazolinones via a Knoevenagel–Michael-imine pathway: a microwave assisted approach

Maloo, Preeti, Roy, Tapta Kanchan, Sawant, Devesh M., Pardasani, Ram T., Salunkhe, Manikrao M.

Journal:

Year:

2016

Language:

english

File:

PDF, 916 KB

english, 2016

11

A Tandem In Situ Peptide Cyclization through Trifluoroacetic Acid Cleavage

Chandra, Koushik, Roy, Tapta Kanchan, Shalev, Deborah E., Loyter, Abraham, Gilon, Chaim, Gerber, R. Benny, Friedler, Assaf

Journal:

Angewandte Chemie

Year:

2014

Language:

english

File:

PDF, 2.01 MB

english, 2014

12

Dinuclear gold(I)âNâheterocyclic carbene complexes: Synthesis, characterization, and catalytic application for hydrohydrazidation of terminal alkynes

Yadav, Seema, Ray, Sriparna, Singh, Ajeet, Mobin, Shaikh M., Roy, Tapta Kanchan, Dash, Chandrakanta

Journal:

Applied Organometallic Chemistry

Year:

2020

File:

PDF, 3.44 MB

2020

13

Conformational preferences of mono-substituted cyclohydronitrogens: A theoretical study

Tapta Kanchan Roy, Susanta Ghanta, Tanmoy Mondal, Banda Saritha, S. Mahapatra, M. Dugra Prasad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 192 KB

english, 2007

14

MOF-FF - A flexible first-principles derived force field for metal-organic frameworks

Bureekaew, Sareeya, Amirjalayer, Saeed, Tafipolsky, Maxim, Spickermann, Christian, Roy, Tapta Kanchan, Schmid, Rochus

Journal:

physica status solidi (b)

Year:

2013

Language:

english

File:

PDF, 1.02 MB

english, 2013

15

Functionalization of terminal carbon atoms of hydroxyl terminated polybutadiene by polyazido nitrogen rich molecules

Rajavelu Murali Sankar, Tapta Kanchan Roy, Tushar Jana

Journal:

Bulletin of Materials Science

Year:

2011

Language:

english

File:

PDF, 539 KB

english, 2011

16

A Tandem In Situ Peptide Cyclization through Trifluoroacetic Acid Cleavage

Chandra, Koushik, Roy, Tapta Kanchan, Shalev, Deborah E., Loyter, Abraham, Gilon, Chaim, Gerber, R. Benny, Friedler, Assaf

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 2.03 MB

english, 2014

17

Rhodium(III)âCatalyzed Annulation of 2âArylimidazo[1,2âa]pyridines with Maleimides: Synthesis of 1HâBenzo[e]pyrido[1',2':1,2]imidazo[4,5âg]isoindoleâ1,3(2H)âdiones and their Photophysical Studies

Shinde, Vikki N, Roy, Tapta Kumar, Jaspal, Sonam, Nipate, Dhananjay S., Meena, Neha, Rangan, Krishnan, Kumar, Dalip, Kumar, Anil

Journal:

Advanced Synthesis & Catalysis

Year:

2020

File:

PDF, 2.42 MB

2020

18

Mechanistic studies of malonic acid-mediated in situ acylation

Chandra, Koushik, Naoum, Johnny N., Roy, Tapta Kanchan, Gilon, Chaim, Gerber, R. Benny, Friedler, Assaf

Journal:

Year:

2015

Language:

english

File:

PDF, 460 KB

english, 2015

19

A comparative study of independent particle model based approaches for thermal averages

BANIK, SUBRATA, ROY, TAPTA KANCHAN, PRASAD, M DURGA

Journal:

Journal of Chemical Sciences

Year:

2013

Language:

english

File:

PDF, 390 KB

english, 2013

20

Intrinsic Structure of Pentapeptide Leu-enkephalin: Geometry Optimization and Validation by Comparison of VSCF-PT2 Calculations with Cold Ion Spectroscopy

Roy, Tapta Kanchan, Kopysov, Vladimir, Pereverzev, Aleksandr, Sebek, Jirka, Gerber, Robert Benny, Boyarkin, Oleg V

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.07 MB

english, 2018

21

Vibrational self-consistent field calculations for spectroscopy of biological molecules: new algorithmic developments and applications

Roy, Tapta Kanchan, Gerber, R. Benny

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.48 MB

english, 2013

22

Novel Axially Ligated Complexes of Zn(II)Porphyrin: Spectroscopic, Computational, and Antibiological Characterization

Sujata Kundan,, Bajju, Gauri D., Gupta, Deepmala, Roy, Tapta Kanchan

Journal:

Russian Journal of Inorganic Chemistry

Year:

2019

File:

PDF, 1.45 MB

2019

23

Dual Basis Approach for Ab Initio Anharmonic Calculations of Vibrational Spectroscopy: Application to Micro-Solvated Biomolecules

Roy, Tapta Kanchan, Gerber, R. Benny

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 709 KB

2020

24

Catalyst-Controlled Structural Divergence: Selective Intramolecular 7-endo-dig and 6-exo-dig Post-Ugi Cyclization for the Synthesis of Benzoxazepinones and Benzoxazinones

Singh, Karandeep, Malviya, Bhanwar Kumar, Roy, Tapta Kanchan, Mithu, Venus Singh, Bhardwaj, Vimal K., Verma, Ved Prakash, Chimni, Swapandeep Singh, Sharma, Siddharth

Journal:

Journal of Organic Chemistry

Year:

2017

Language:

english

File:

PDF, 530 KB

english, 2017

25

Comprehensive Benchmark Results for the Accuracy of Basis Sets for Anharmonic Molecular Vibrations

Mitra, Hrishit, Roy, Tapta Kanchan

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 2.10 MB

2020

26

ChemInform Abstract: A Catalyst-Free, One-Pot Multicomponent Synthesis of Spiro-Benzimidazoquinazolinones via a Knoevenagel-Michael-Imine Pathway: A Microwave Assisted Approach.

Maloo, Preeti, Roy, Tapta Kanchan, Sawant, Devesh M., Pardasani, Ram T., Salunkhe, Manikrao M.

Journal:

Year:

2016

File:

PDF, 20 KB

2016

27

First-Principles Anharmonic Quantum Calculations for Peptides Spectroscopy: VSCF Calculations and Comparison with Experiments

Roy, Tapta Kanchan, Sharma, Rahul, Gerber, Robert Benny

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 944 KB

english, 2015

28

Novel Axially Ligated Complexes of Zn(II)Porphyrin: Spectroscopic, Computational, and Antibiological Characterization

Sujata Kundan,, Bajju, Gauri D., Gupta, Deepmala, Roy, Tapta Kanchan

Journal:

Russian Journal of Inorganic Chemistry

Year:

2019

Language:

english

File:

PDF, 1.45 MB

english, 2019

29

A thermal self-consistent field theory for the calculation of molecular vibrational partition functions

Roy, Tapta Kanchan, Prasad, M. Durga

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 374 KB

english, 2009

30

Hypochlorite Mediated Modulation of Photo-induced Electron Transfer in PTZ-BODIPY Electron Donor-Acceptor Dyad: A Highly Water Soluble "turn-on" Fluorescent Probe for Hypochlorite

Chitta, Raghu, Soni, Disha, Duvva, Naresh, Badgurjar, Deepak, Roy, Tapta Kanchan, Nimesh, Surendra, Arya, Geeta, Giribabu, Lingamallu

Journal:

Chemistry – An Asian Journal

Year:

2018

Language:

english

File:

PDF, 2.20 MB

english, 2018

31

Design, synthesis, characterization and evaluation of the anticancer activity of water-soluble half-sandwich ruthenium( ii ) arene halido complexes

Khan, Tanveer A., Bhar, Kishalay, Thirumoorthi, Ramalingam, Roy, Tapta Kanchan, Sharma, Anuj K.

Journal:

New Journal of Chemistry

Year:

2020

File:

PDF, 5.29 MB

2020

32

Ruthenium Catalyzed Intramolecular C–S Coupling Reactions: Synthetic Scope and Mechanistic Insight

Sharma, Shivani, Pathare, Ramdas S., Maurya, Antim K., Gopal, Kandasamy, Roy, Tapta Kanchan, Sawant, Devesh M., Pardasani, Ram T.

Journal:

Organic Letters

Year:

2016

Language:

english

File:

PDF, 981 KB

english, 2016

33

Conformational Structures of a Decapeptide Validated by First Principles Calculations and Cold Ion Spectroscopy

Roy, Tapta Kanchan, Kopysov, Vladimir, Nagornova, Natalia S., Rizzo, Thomas R., Boyarkin, Oleg V., Gerber, R. Benny

Journal:

Year:

2015

Language:

english

File:

PDF, 1.57 MB

english, 2015

34

Synthesis of diverse N-heterocycles via Pd-catalyzed tandem azide-isocyanide cross-coupling/cyclization: Mechanistic insight using experimental and theoretical studies

Ansari, Arshad, Pathare, Ramdas, Maurya, Antim, Agnihotri, Vijai, Khan, Shannawaz, Roy, Tapta, Sawant, Devesh, Pardasani, Ram

Journal:

Advanced Synthesis & Catalysis

Year:

2017

Language:

english

File:

PDF, 2.17 MB

english, 2017

35

On the Proton Shuttle Motion in Protonated Acetylene: An Electronic Structure Perspective

Banik, Subrata, Sansi, Ankit Kumar, Nandan, Shiv, Roy, Tapta Kanchan

Journal:

ChemistrySelect

Year:

2020

File:

PDF, 1.20 MB

2020

36

Frontispiece: A Tandem In Situ Peptide Cyclization through Trifluoroacetic Acid Cleavage

Chandra, Koushik, Roy, Tapta Kanchan, Shalev, Deborah E., Loyter, Abraham, Gilon, Chaim, Gerber, R. Benny, Friedler, Assaf

Journal:

Angewandte Chemie International Edition

Year:

2014

File:

PDF, 898 KB

2014

37

Development of a new variational approach for thermal density matrices

Roy, Tapta Kanchan, Prasad, M. Durga

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 449 KB

english, 2011

38

Synthesis of Spirooxindoles through Cyclocondensation of Isatin and Cyclic 1,3-Diones

Joshi, Rahul, Kumawat, Anita, Singh, Saurabh, Roy, Tapta Kanchan, Pardasani, Ram T.

Journal:

Journal of Heterocyclic Chemistry

Year:

2018

Language:

english

File:

PDF, 1.31 MB

english, 2018

39

Phosphine-Free Bis(Pyrrolyl)pyridine Based NNN-Pincer Palladium(II) Complexes as Efficient Catalysts for Suzuki-Miyaura Cross-Coupling Reactions of Aryl Bromides in Aqueous Medium

Yadav, Seema, Singh, Ajeet, Rashid, Nusrat, Ghotia, Maheshwari, Roy, Tapta Kanchan, Ingole, Pravin P., Ray, Sriparna, Mobin, Shaikh M., Dash, Chandrakanta

Journal:

ChemistrySelect

Year:

2018

Language:

english

File:

PDF, 2.51 MB

english, 2018

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