Structure factor lineshape model gives approximate nanoscale size of polar aggregates in the ionic liquid N-methyl-N-propylpyrrolidinium bis(trifluoromethylsulfonyl)imide
Wheeler, Ralph A, Dalbey, Emily E
Published in Physical chemistry chemical physics : PCCP (21.04.2021)
Published in Physical chemistry chemical physics : PCCP (21.04.2021)
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Journal Article
Harmonic Vibrational Frequencies: Scaling Factors for HF, B3LYP, and MP2 Methods in Combination with Correlation Consistent Basis Sets
Sinha, Pankaj, Boesch, Scott E, Gu, Changming, Wheeler, Ralph A, Wilson, Angela K
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.10.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.10.2004)
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Journal Article
Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets
Laury, Marie L., Boesch, Scott E., Haken, Ian, Sinha, Pankaj, Wheeler, Ralph A., Wilson, Angela K.
Published in Journal of computational chemistry (01.08.2011)
Published in Journal of computational chemistry (01.08.2011)
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Journal Article
Molecular Dynamics Simulations and Spectroscopic Studies of Amorphous Tetraglyme (CH3O(CH2CH2O)4CH3) and Tetraglyme:LiCF3SO3 Structures
Hyun, Jin-Kee, Dong, Haitao, Rhodes, Christopher P, Frech, Roger, Wheeler, Ralph A
Published in The journal of physical chemistry. B (26.04.2001)
Published in The journal of physical chemistry. B (26.04.2001)
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Journal Article
Flexible protein-flexible ligand docking with disrupted velocity simulated annealing
Huang, Zunnan, Wong, Chung F., Wheeler, Ralph A.
Published in Proteins, structure, function, and bioinformatics (01.04.2008)
Published in Proteins, structure, function, and bioinformatics (01.04.2008)
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Journal Article
In Vivo, in Vitro, and Calculated Vibrational Spectra of Plastoquinone and the Plastosemiquinone Anion Radical
Razeghifard, M. Reza, Kim, Sunyoung, Patzlaff, Jason S, Hutchison, Ronald S, Krick, Thomas, Ayala, Idelisa, Steenhuis, Jacqueline J, Boesch, Scott E, Wheeler, Ralph A, Barry, Bridgette A
Published in The journal of physical chemistry. B (04.11.1999)
Published in The journal of physical chemistry. B (04.11.1999)
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Journal Article
Vibrational Spectroscopy of Secondary Amine Salts: 1. Assignment of NH2 + Stretching Frequencies in Crystalline Phases
Giffin, Guinevere A, Boesch, Scott, Bopege, Dharshani N, Powell, Douglas R, Wheeler, Ralph A, Frech, Roger
Published in The journal of physical chemistry. B (10.12.2009)
Published in The journal of physical chemistry. B (10.12.2009)
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Journal Article
Carbon monoxide cleavage by (silox)3Ta (silox = tert-Bu3SiO-): physical, theoretical, and mechanistic investigations
Neithamer, David R, LaPointe, Robert E, Wheeler, Ralph A, Richeson, Darrin S, Van Duyne, Gregory D, Wolczanski, Peter T
Published in Journal of the American Chemical Society (01.12.1989)
Published in Journal of the American Chemical Society (01.12.1989)
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Journal Article
Symmetric vs. asymmetric linear M-X-M linkages in molecules, polymers, and extended networks
Wheeler, Ralph A, Whangbo, Myung Hwan, Hughbanks, Timothy, Hoffmann, Roald, Burdett, Jeremy K, Albright, Thomas A
Published in Journal of the American Chemical Society (01.04.1986)
Published in Journal of the American Chemical Society (01.04.1986)
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