Boyer MA - Search Results

1

Infrared spectroscopic signature of a hydroperoxyalkyl radical (•QOOH).

Hansen AS, Bhagde T, Qian Y, Cavazos A, Huchmala RM, Boyer MA, Gavin-Hanner CF, Klippenstein SJ, McCoy AB, Lester MI. Hansen AS, et al. Among authors: boyer ma. J Chem Phys. 2022 Jan 7;156(1):014301. doi: 10.1063/5.0076505. J Chem Phys. 2022. PMID: 34998315

2

Beyond Badger's Rule: The Origins and Generality of the Structure-Spectra Relationship of Aqueous Hydrogen Bonds.

Boyer MA, Marsalek O, Heindel JP, Markland TE, McCoy AB, Xantheas SS. Boyer MA, et al. J Phys Chem Lett. 2019 Mar 7;10(5):918-924. doi: 10.1021/acs.jpclett.8b03790. Epub 2019 Feb 14. J Phys Chem Lett. 2019. PMID: 30735052

3

The Role of Tunneling in the Spectra of H₅⁺ and D₅⁺ up to 7300 cm^-1.

Boyer MA, Chiu CS, McDonald DC 2nd, Wagner JP, Colley JE, Orr DS, Duncan MA, McCoy AB. Boyer MA, et al. J Phys Chem A. 2020 Jun 4;124(22):4427-4439. doi: 10.1021/acs.jpca.0c02299. Epub 2020 May 27. J Phys Chem A. 2020. PMID: 32392420

4

Diffusion Monte Carlo Studies on the Detection of Structural Changes in the Water Hexamer upon Isotopic Substitution.

Lee VGM, Vetterli NJ, Boyer MA, McCoy AB. Lee VGM, et al. Among authors: boyer ma. J Phys Chem A. 2020 Aug 27;124(34):6903-6912. doi: 10.1021/acs.jpca.0c05686. Epub 2020 Aug 17. J Phys Chem A. 2020. PMID: 32692558

5

Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. II. The OH-stretching fundamental and overtone spectra.

Vogt E, Huchmala RM, Jensen CV, Boyer MA, Wallberg J, Hansen AS, Kjærsgaard A, Lester MI, McCoy AB, Kjaergaard HG. Vogt E, et al. Among authors: boyer ma. J Chem Phys. 2021 Apr 28;154(16):164307. doi: 10.1063/5.0048022. J Chem Phys. 2021. PMID: 33940839

6

Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. I. The cold and warm first OH-stretching overtone spectrum.

Hansen AS, Huchmala RM, Vogt E, Boyer MA, Bhagde T, Vansco MF, Jensen CV, Kjærsgaard A, Kjaergaard HG, McCoy AB, Lester MI. Hansen AS, et al. Among authors: boyer ma. J Chem Phys. 2021 Apr 28;154(16):164306. doi: 10.1063/5.0048020. J Chem Phys. 2021. PMID: 33940856

7

A flexible approach to vibrational perturbation theory using sparse matrix methods.

Boyer MA, McCoy AB. Boyer MA, et al. J Chem Phys. 2022 Feb 7;156(5):054107. doi: 10.1063/5.0080892. J Chem Phys. 2022. PMID: 35135285

8

Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl^-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy.

Stropoli SJ, Khuu T, Messinger JP, Karimova NV, Boyer MA, Zakai I, Mitra S, Lachowicz AL, Yang N, Edington SC, Gerber RB, McCoy AB, Johnson MA. Stropoli SJ, et al. Among authors: boyer ma. J Phys Chem Lett. 2022 Mar 31;13(12):2750-2756. doi: 10.1021/acs.jpclett.2c00218. Epub 2022 Mar 22. J Phys Chem Lett. 2022. PMID: 35315676

9

Electronic and mechanical anharmonicities in the vibrational spectra of the H-bonded, cryogenically cooled X^- · HOCl (X=Cl, Br, I) complexes: Characterization of the strong anionic H-bond to an acidic OH group.

Stropoli SJ, Khuu T, Boyer MA, Karimova NV, Gavin-Hanner CF, Mitra S, Lachowicz AL, Yang N, Gerber RB, McCoy AB, Johnson MA. Stropoli SJ, et al. Among authors: boyer ma. J Chem Phys. 2022 May 7;156(17):174303. doi: 10.1063/5.0083078. J Chem Phys. 2022. PMID: 35525657

10

Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning.

Lu F, Cheng L, DiRisio RJ, Finney JM, Boyer MA, Moonkaen P, Sun J, Lee SJR, Deustua JE, Miller TF 3rd, McCoy AB. Lu F, et al. Among authors: boyer ma. J Phys Chem A. 2022 Jun 30;126(25):4013-4024. doi: 10.1021/acs.jpca.2c02243. Epub 2022 Jun 17. J Phys Chem A. 2022. PMID: 35715227

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