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Quantum Computation of Hydrogen Bond Dynamics and Vibrational Spectra.
Richerme P, Revelle MC, Yale CG, Lobser D, Burch AD, Clark SM, Saha D, Lopez-Ruiz MA, Dwivedi A, Smith JM, Norrell SA, Sabry A, Iyengar SS. Richerme P, et al. Among authors: smith jm. J Phys Chem Lett. 2023 Aug 17;14(32):7256-7263. doi: 10.1021/acs.jpclett.3c01601. Epub 2023 Aug 9. J Phys Chem Lett. 2023. PMID: 37555761
Spectroscopic and Computational Studies of Spin States of Iron(IV) Nitrido and Imido Complexes.
Bucinsky L, Breza M, Lee WT, Hickey AK, Dickie DA, Nieto I, DeGayner JA, Harris TD, Meyer K, Krzystek J, Ozarowski A, Nehrkorn J, Schnegg A, Holldack K, Herber RH, Telser J, Smith JM. Bucinsky L, et al. Among authors: smith jm. Inorg Chem. 2017 Apr 17;56(8):4752-4769. doi: 10.1021/acs.inorgchem.7b00512. Epub 2017 Apr 5. Inorg Chem. 2017. PMID: 28379707
1,978 results