Chakravarty C - Search Results

1

Anisotropic Dielectric Screened Range-Separated Hybrid Density Functional Theory Calculations of Charge Transfer States across an Anthracene-TCNQ Donor-Acceptor Interface.

Chakravarty C, Saller MAC, Aksu H, Dunietz BD. Chakravarty C, et al. J Chem Theory Comput. 2024 Dec 24;20(24):10751-10758. doi: 10.1021/acs.jctc.4c00813. Epub 2024 Dec 2. J Chem Theory Comput. 2024. PMID: 39621423

2

Ru Prussian blue analogue-derived Ru nanoparticles composited with a trace amount of Pt as an efficacious electrocatalyst for the hydrogen evolution reaction.

Sadangi M, Chakravarty C, Bhattacharjee J, Behera JN. Sadangi M, et al. Among authors: chakravarty c. Dalton Trans. 2024 Oct 8;53(39):16384-16396. doi: 10.1039/d4dt02220c. Dalton Trans. 2024. PMID: 39319666

3

Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent.

Chakravarty C, Aksu H, Martinez B JA, Ramos P, Pavanello M, Dunietz BD. Chakravarty C, et al. J Phys Chem Lett. 2022 Jun 9;13(22):4849-4855. doi: 10.1021/acs.jpclett.2c00982. Epub 2022 May 26. J Phys Chem Lett. 2022. PMID: 35617015

4

Electronic Spectra of C₆₀ Films Using Screened Range Separated Hybrid Functionals.

Chakravarty C, Aksu H, Maiti B, Dunietz BD. Chakravarty C, et al. J Phys Chem A. 2021 Sep 9;125(35):7625-7632. doi: 10.1021/acs.jpca.1c04908. Epub 2021 Aug 27. J Phys Chem A. 2021. PMID: 34448570

5

The Immunomodulatory CEA Cell Adhesion Molecule 6 (CEACAM6/CD66c) Is a Protein Receptor for the Influenza a Virus.

Rahman SK, Ansari MA, Gaur P, Ahmad I, Chakravarty C, Verma DK, Sharma A, Chhibber S, Nehal N, Wirth D, Lal SK. Rahman SK, et al. Among authors: chakravarty c. Viruses. 2021 Apr 21;13(5):726. doi: 10.3390/v13050726. Viruses. 2021. PMID: 33919410 Free PMC article.

6

Silicon and Phosphorus Co-doped Bipyridine-Linked Covalent Triazine Framework as a Promising Metal-Free Catalyst for Hydrogen Evolution Reaction: A Theoretical Investigation.

Ball B, Chakravarty C, Sarkar P. Ball B, et al. Among authors: chakravarty c. J Phys Chem Lett. 2020 Feb 20;11(4):1542-1549. doi: 10.1021/acs.jpclett.9b03876. Epub 2020 Feb 10. J Phys Chem Lett. 2020. PMID: 32020806

7

Computational Investigation on the Electronic Structure and Functionalities of a Thiophene-Based Covalent Triazine Framework.

Ball B, Chakravarty C, Mandal B, Sarkar P. Ball B, et al. Among authors: chakravarty c. ACS Omega. 2019 Feb 18;4(2):3556-3564. doi: 10.1021/acsomega.8b03488. eCollection 2019 Feb 28. ACS Omega. 2019. PMID: 31459570 Free PMC article.

8

Indolent Systemic Mastocytosis Manifesting as Protracted Anaphylactic Shock.

Chatterjee M, Sengupta S, Chakravarty C, Ramasubban S, Bhartia S, Khan S, Agarwal VK. Chatterjee M, et al. Among authors: chakravarty c. Indian J Crit Care Med. 2018 Apr;22(4):311-313. doi: 10.4103/ijccm.IJCCM_497_17. Indian J Crit Care Med. 2018. PMID: 29743774 Free PMC article.

9

Hydration Behavior along the Folding Pathways of Trpzip4, Trpzip5 and Trpzip6.

Gupta M, Khatua P, Chakravarty C, Bandyopadhyay S. Gupta M, et al. Among authors: chakravarty c. J Phys Chem B. 2018 Feb 8;122(5):1560-1572. doi: 10.1021/acs.jpcb.7b10135. Epub 2018 Jan 26. J Phys Chem B. 2018. PMID: 29334736

10

The sensitivity of folding free energy landscapes of trpzips to mutations in the hydrophobic core.

Gupta M, Khatua P, Chakravarty C, Bandyopadhyay S. Gupta M, et al. Among authors: chakravarty c. Phys Chem Chem Phys. 2017 Aug 30;19(34):22813-22825. doi: 10.1039/c7cp03825a. Phys Chem Chem Phys. 2017. PMID: 28812069

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