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Author: david plusquellic

Displaying records 11 to 20 of 92 records.
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11. Rotationally Resolved Studies of the Exciton Coupled S1/S2 Origin Regions of Diphenylmethane and the d12 Isotopologue
Published: 12/9/2008
Authors: David F Plusquellic, Kevin O Douglass, Jaime Stearns, Nathan Pillsbury, Timothy Zwier, Christian Muller
Abstract: Rotationally resolved microwave and ultraviolet spectra of jet-cooled diphenylmethane (DPM) and DPM-d^12 have been obtained in S^d0, S^d1 and S2 electronic states using Fourier-transform microwave and UV laser/molecular beam spectrometers. The S0 and ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=842541

12. THz Investigations of Condensed Phase Biomolecular Systems
Published: 10/8/2008
Authors: Kevin O Douglass, Hailiang Zhang, Susan K. Gregurick, Karen M. Siegrist, David F Plusquellic
Abstract: Terahertz (THz) spectroscopic investigations of crystalline dipeptide nanotubes are discussed in the frequency region from 0.6 THz (2 cm-1) to 3 THz (100 cm-1). The THz region provides access to collective modes of biomolecular systems and is theref ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=842603

13. Terahertz Spectroscopy of Biomolecules
Published: 12/22/2007
Authors: David F Plusquellic, Edwin J Heilweil
Abstract: Far-infrared (Terahertz or THz) spectroscopic investigations of condensed-phase biological and model organic species including substituted benzenes, amino acids, sugars, polypeptides, small proteins and DNA/RNA are reviewed. These studies reveal tha ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=841090

14. 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

15. 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

16. 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

17. 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

18. 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

19. 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

20. 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



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