Systematic analysis of electronic barrier heights and widths for concerted proton transfer in cyclic hydrogen bonded clusters: (HF) n , (HCl) n and (H 2 O) n where n = 3, 4, 5
Xue, Yuan, Sexton, Thomas More, Yang, Johnny, Tschumper, Gregory S
Published in Physical chemistry chemical physics : PCCP (24.04.2024)
Published in Physical chemistry chemical physics : PCCP (24.04.2024)
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Journal Article
Probing the Effects of Size and Charge on the Monohydration and Dihydration of SiF 5 - and SiF 6 2- via Comparisons with BF 4 - and PF 6
Mosely, Jacquelyn J, Tschumper, Gregory S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.07.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (18.07.2024)
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Journal Article
Characterization of Competing Halogen- and Hydrogen-Bonding Motifs in Simple Mixed Dimers of HCN and HX (X = F, Cl, Br, and I)
Perkins, Morgan A., Tschumper, Gregory S.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.06.2022)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.06.2022)
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Journal Article
Torsional Profiles of Thiophene and Furan Oligomers: Probing the Effects of Heterogeneity and Chain Length
Perkins, Morgan A, Cline, Laura M, Tschumper, Gregory S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.07.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.07.2021)
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Journal Article
Conformational comparison of urea and thiourea near the CCSD(T) complete basis set limit
Barlow, Kayleigh R., Tschumper, Gregory S.
Published in International journal of quantum chemistry (15.04.2023)
Published in International journal of quantum chemistry (15.04.2023)
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Journal Article
Competition between Solvent–Solvent and Solvent–Solute Interactions in the Microhydration of the Hexafluorophosphate Anion, PF6 –(H2O) n=1,2
Abdo, Yasmeen A, Tschumper, Gregory S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.10.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.10.2020)
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Journal Article
Epigenetic Modification, Dehydration, and Molecular Crowding Effects on the Thermodynamics of i‑Motif Structure Formation from C‑Rich DNA
Bhavsar-Jog, Yogini P, Van Dornshuld, Eric, Brooks, Tracy A, Tschumper, Gregory S, Wadkins, Randy M
Published in Biochemistry (Easton) (18.03.2014)
Published in Biochemistry (Easton) (18.03.2014)
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Journal Article
Competition between Solvent···Solvent and Solvent···Solute Interactions in the Microhydration of the Tetrafluoroborate Anion, BF4 –(H2O) n=1,2,3,4
Olive, Laura N., Dornshuld, Eric V., Schaefer, Henry F., Tschumper, Gregory S.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2023)
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Journal Article
Observation of the Low‐Frequency Spectrum of the Water Trimer as a Sensitive Test of the Water‐Trimer Potential and the Dipole‐Moment Surface
Schwan, Raffael, Qu, Chen, Mani, Devendra, Pal, Nitish, Schwaab, Gerhard, Bowman, Joel M., Tschumper, Gregory S., Havenith, Martina
Published in Angewandte Chemie International Edition (06.07.2020)
Published in Angewandte Chemie International Edition (06.07.2020)
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Journal Article
Hydrogen bonding in the mixed HF/HCl dimer: Is it better to give or receive?
Johnson, Sarah N., Tschumper, Gregory S.
Published in Journal of computational chemistry (30.05.2018)
Published in Journal of computational chemistry (30.05.2018)
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Journal Article