نتائج البحث - "Karmakar, Tarak"

المساهمون: University Grants Commission, Science and Engineering Research Board, Indian Institute of Technology Delhi, Ministry of Education, India

المصدر: JACS Au ; volume 4, issue 3, page 1073-1080 ; ISSN 2691-3704 2691-3704

الاتاحة: https://doi.org/10.1021/jacsau.3c00802
https://pubs.acs.org/doi/pdf/10.1021/jacsau.3c00802

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10

Report

Simulations of Crystal Nucleation from Solution at Constant Chemical Potential

المؤلفون: Karmakar, Tarak, Piaggi, Pablo M., Parrinello, Michele

مصطلحات موضوعية: Condensed Matter - Soft Condensed Matter, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1907.04037

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11

Report

Naphthalene crystal shape prediction from molecular dynamics simulations

المؤلفون: Bjelobrk, Zoran, Piaggi, Pablo M., Weber, Thilo, Karmakar, Tarak, Mazzotti, Marco, Parrinello, Michele

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/1904.07337

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12

Academic Journal

Enhanced Sampling Simulations of RNA–Peptide Binding Using Deep Learning Collective Variables

المؤلفون: Kumari, Nisha, Sonam, Karmakar, Tarak

المساهمون: Indian Institute of Technology Delhi

المصدر: Journal of Chemical Information and Modeling ; volume 65, issue 2, page 563-570 ; ISSN 1549-9596 1549-960X

الاتاحة: https://doi.org/10.1021/acs.jcim.4c01438
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c01438

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13

Academic Journal

Triplet Energy Migration in Cytoskeletal Polymers.

المؤلفون: Kakati, Arnab, Karmakar, Tarak, Kalra, Aarat P.

المصدر: Journal of Physical Chemistry B; 1/9/2025, Vol. 129 Issue 1, p128-138, 11p

14

Academic Journal

Nucleophilic Dearomatization of Activated Pyridines Using Vinyl Sulfoxonium Ylides: Application to the Synthesis of Bis-Heterocycles.

المؤلفون: Bhardwaj, Srashti, Gopalakrishnan, Dinesh Kumar, Karmakar, Tarak, Vaitla, Janakiram

المصدر: Organic Letters; 12/20/2024, Vol. 26 Issue 50, p10886-10890, 5p

15

Academic Journal

Synthesis of Cyclic (Alkyl)(amino)carbene-Stabilized Copper–Iron Heterobimetallic Complexes and Their Application in Pyridine Hydroboration.

المؤلفون: Sharma, Ankita, Tiwari, Vikas, Yadav, Ritu, Das, Bindusagar, Majumder, Chinmoy, Das, Ayantika, Karmakar, Tarak, Kundu, Subrata

المصدر: Organometallics; 12/9/2024, Vol. 43 Issue 23, p3054-3061, 8p

16

Academic Journal

Non-Equilibrium Modelling of Concentration-Driven Processes with Constant Chemical Potential Molecular Dynamics Simulations

المؤلفون: Karmakar, Tarak, Finney, Aaron, Salvalaglio, Matteo, Yazaydin, Ahmet Ozgur, Perego, Claudio

المصدر: Accounts of Chemical Research , 56 (10) pp. 1156-1167. (2023)

مصطلحات موضوعية: Adsorption, Crystallization, Crystals, Membranes, Solution chemistry

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10168184/7/Salvalaglio_acs.accounts.2c00811.pdf; https://discovery.ucl.ac.uk/id/eprint/10168184/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10168184/7/Salvalaglio_acs.accounts.2c00811.pdf
https://discovery.ucl.ac.uk/id/eprint/10168184/

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17

Academic Journal

Study of the solvent-dependent crystal shape of theophylline using constant chemical potential molecular dynamics simulations.

المؤلفون: Neha, Karmakar, Tarak

المصدر: Physical Chemistry Chemical Physics (PCCP); 10/7/2024, Vol. 26 Issue 37, p24335-24341, 7p

18

Academic Journal

Collective Variables for Crystallization Simulations─from Early Developments to Recent Advances

المؤلفون: Neha, Tiwari, Vikas, Mondal, Soumya, Kumari, Nisha, Karmakar, Tarak

المساهمون: Indian Institute of Technology Delhi

المصدر: ACS Omega ; volume 8, issue 1, page 127-146 ; ISSN 2470-1343 2470-1343

الاتاحة: http://dx.doi.org/10.1021/acsomega.2c06310
https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c06310

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19

Periodical

Polymorph-Specific Solubility Prediction of Urea Using Constant Chemical Potential Molecular Dynamics Simulations

المؤلفون: Neha, Aggarwal, Manya, Soni, Aashutosh, Karmakar, Tarak

المصدر: The Journal of Physical Chemistry - Part B; September 2024, Vol. 128 Issue: 35 p8477-8483, 7p

20

Academic Journal

A molecular dynamics study on the ion-mediated self-assembly of monolayer-protected nanoclusters.

المؤلفون: Tiwari, Vikas, Bhattacharyya, Anushna, Karmakar, Tarak

المصدر: Nanoscale; 8/28/2024, Vol. 16 Issue 32, p15141-15147, 7p

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