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Page 1
Hydration effects on the vibrational properties of carboxylates: From continuum models to QM/MM simulations.
J Comput Chem. 2023 Sep 5;44(23):1898-1911. doi: 10.1002/jcc.27171. Epub 2023 Jun 10.
J Comput Chem. 2023.
PMID: 37300426
Hydrosilylation of Carbonyls Catalyzed by Hydridoborenium Borate Salts: Lewis Acid Activation and Anion Mediated Pathways.
Rawat S, Bhandari M, Porwal VK, Singh S.
Rawat S, et al.
Inorg Chem. 2020 May 18;59(10):7195-7203. doi: 10.1021/acs.inorgchem.0c00646. Epub 2020 May 4.
Inorg Chem. 2020.
PMID: 32364748
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Reactions of a BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into the B-H bond.
Manar KK , Porwal VK , Kamte RS , Adhikari M , Thakur SK , Bawari D , Choudhury AR , Singh S .
Manar KK , et al.
Dalton Trans. 2019 Dec 3;48(47):17472-17478. doi: 10.1039/c9dt03382c.
Dalton Trans. 2019.
PMID: 31714564
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Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.
Bawari D, Negi C, Porwal VK, Ravi S, Shamasundar KR, Singh S.
Bawari D, et al.
Dalton Trans. 2019 Jun 7;48(21):7442-7450. doi: 10.1039/c8dt05105d. Epub 2019 May 9.
Dalton Trans. 2019.
PMID: 31070197
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Structural and Vibrational Properties of Carboxylates Intercalated into Layered Double Hydroxides: A Joint Computational and Experimental Study.
Porwal VK, André E, Carof A, Bastida Pascual A, Carteret C, Ingrosso F.
Porwal VK, et al.
Molecules. 2024 Apr 18;29(8):1853. doi: 10.3390/molecules29081853.
Molecules. 2024.
PMID: 38675673
Free PMC article.
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