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Infrared Spectroscopy and Born-Oppenheimer Molecular Dynamics Simulation Study on Deuterium Substitution in the Crystalline Benzoic Acid.
J Phys Chem B. 2017 Jan 26;121(3):479-489. doi: 10.1021/acs.jpcb.6b10617. Epub 2017 Jan 17.
J Phys Chem B. 2017.
PMID: 28005373
Quantum-mechanical study of energies, structures, and vibrational spectra of the H(D)Cl complexed with dimethyl ether.
Boda Ł, Boczar M, Gług M, Wójcik MJ.
Boda Ł, et al. Among authors: glug m.
J Chem Phys. 2015 Nov 28;143(20):204302. doi: 10.1063/1.4935805.
J Chem Phys. 2015.
PMID: 26627954
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