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Author: david plusquellic

Displaying records 21 to 30 of 99 records.
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21. Probing the Electronic Structure of Peptide Bonds Using Methyl Groups:Experimental Measures of Resonance Weights
Published: 6/23/2007
Authors: David F Plusquellic, David W Pratt
Abstract: The observed V3 torsional barriers reported for nine methyl groups attached alpha to peptide bond linkages in five gas phase biomimetics are interpreted at the HF/6311++G(d,p) level of theory in terms of the natural bonding orbitals and the natural r ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841147

22. Applications of THz Spectroscopy in Biosystems
Published: 1/1/2007
Authors: David F Plusquellic, Karen M. Siegrist, Edwin J Heilweil, Okan Esenturk
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=101773

23. High Resolution THz Spectroscopy of Crystalline Peptides: Exploring Hydrogen Bonding Networks, ed. by K. Kneipp, R. Aroca, H. Kneipp and E. Wentrup-Byrne
Published: 1/1/2007
Authors: Karen M. Siegrist, C R. Bucher, Candace Pfefferkorn, A Schwarzkopf, David F Plusquellic
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=104758

24. Rotational Spectra and Conformational Structures of1-Phenyl-2-Propanol, Methamphetamine, and 1-Phenyl-2-Propanone
Published: 12/14/2006
Authors: M J Tubergen, R L Lavrich, David F Plusquellic, R D. Suenram
Abstract: Microwave spectra have been recorded for 1-phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone in the range 11 GHz to 24 GHz using a Fourier-transform microwave spectrometer. Only one spectrum from a single conformational isomer was observe ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841036

25. The Microwave Spectrum of a Two-Top Peptide Mimetic: The N-Acetyl Alanine Methyl Ester Molecule
Published: 9/14/2006
Authors: I Kleiner, J Demaison, David F Plusquellic, R D. Suenram, R J Lavrich, Francis John Lovas, Gerald T Fraser, Vadim V Ilyushin
Abstract: Rotational spectra of the ground torsional state of the N-acetyl alanine methyl ester molecule, a derivative of the alanine dipeptide biomimetic molecule, have been measured using a mini Fourier transform spectrometer between 10 and 20 GHz as part of ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=840966

26. Microwave Spectrum of the Heterodimers: CH^d3^OH-CO^d2^ and CH^d3^OH-H^d2^CO
Published: 9/1/2006
Authors: Vadim V Ilyushin, Francis John Lovas, David F Plusquellic
Abstract: Molecular complexes, dimers and heterodimers, often show interesting structures, large amplitude internal motions and orientations for reaction coordinates. These properties were the motivations for the current study of the rotational spectra of the ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841023

27. High Resolution Thz Spectroscopy of Crystalline Trialanine: Extreme Sensitivity to Secondary Structure and Co-Crystallized Water
Published: 5/3/2006
Author: David F Plusquellic
Abstract: High resolution THz absorption spectra have been obtained at 4.2 K for three well-defined crystalline forms of trialanine [NH3+-(Ala)3-CO2-]. The crystal structures differ in their secondary structures (parallel (p) vs anti-parallel (ap) sheet) and ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=840987

28. High Resolution THz Spectroscopy of Crystalline Trialanine: Extreme Sensitivity to {beta}-sheet Structure and Co-crystallized Water
Published: 4/6/2006
Authors: Karen M. Siegrist, C R. Bucher, Idan Mandelbaum, Angela R Hight Walker, R Balu, Susan K. Gregurick, David F Plusquellic
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=104190

29. Structure and DyHigh-resolution studies of tropolone in the S0 and S1 electronic states: Isotope driven dynamics in the zero-point energy levels
Published: 2/21/2006
Authors: J C Keske, W Lin, W Pringle, S Novick, T Blake, David F Plusquellic
Abstract: Rotationally resolved microwave (MW) and ultraviolet (UV) spectra of jet-cooled tropolone have been obtained in S0 and S1 electronic states using Fourier-transform microwave and UV-laser/molecular-beam spectrometers. In the ground electronic state, t ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841751

30. Microwave Spectrum and Structure of Methyl Phosphonic Difluoride
Published: 1/2/2006
Authors: R D. Suenram, Francis John Lovas, David F Plusquellic, M W Elizy, J M Lochner, J O Jensen, A C Samuels
Abstract: The rotational spectrum of methyl phosphonic difluoride has been reinvestigated using a pulsed-molecular-beam Fabry-Perot cavity microwave spectrometer. The enhanced resolution of the Fourier transform microwave (FTMW) spectrometer (compared to the ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=840961



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