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The first HyDRA challenge for computational vibrational spectroscopy.
Phys Chem Chem Phys. 2023 Aug 23;25(33):22089-22102. doi: 10.1039/d3cp01216f.
Phys Chem Chem Phys. 2023.
PMID: 37610422
Free article.
Perturbing π-clouds with Substituents to Study the Effects on Reaction Dynamics of gauche-1,3-Butadiene to Bicyclobutane Electrocyclization.
Kalita P, Medhi B, Singh HK, Bhattacharyya HP, Gupt N, Sarma M.
Kalita P, et al. Among authors: bhattacharyya hp.
Chemphyschem. 2023 Feb 1;24(3):e202200727. doi: 10.1002/cphc.202200727. Epub 2022 Nov 22.
Chemphyschem. 2023.
PMID: 36281900
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Unveiling the Noncovalent Interaction of Thiazol-2-ylidene and Its Derivatives as N-heterocyclic Carbene with Different Proton Donor Molecules.
Keot N, Lama B, Singh HK, Bhattacharyya HP, Sarma M.
Keot N, et al. Among authors: bhattacharyya hp.
Chemphyschem. 2023 Dec 1;24(23):e202300413. doi: 10.1002/cphc.202300413. Epub 2023 Sep 27.
Chemphyschem. 2023.
PMID: 37712533
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Efficiency Conceptualization Model: A Theoretical Method for Predicting the Turnover of Catalysts.
Bhattacharyya HP, Sarma M.
Bhattacharyya HP, et al.
Chemphyschem. 2024 Apr 15:e202400004. doi: 10.1002/cphc.202400004. Online ahead of print.
Chemphyschem. 2024.
PMID: 38619023
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