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Author: david plusquellic

Displaying records 11 to 20 of 94 records.
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11. Conformational Effects on Excitonic Interactions in a Prototypical H-bonded Bichromophore: Bis(2-hydroxyphenyl)methane
Published: 4/30/2009
Authors: David F Plusquellic, Nathan Pillsbury, Christian Mueller, Timothy Zwier
Abstract: Laser induced fluorescence (LIF), single vibronic level fluorescence, UV holeburning, and fluorescence-dip infrared (FDIR) spectroscopy have been carried out on bis-(2-hydroxyphenyl)methane (2HDPM) in order to characterize the ground and first excite ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=901215

12. Terahertz Spectra and Normal Mode Analysis of the Crystalline VA Class Dipeptide Nanotubes
Published: 12/31/2008
Authors: David F Plusquellic, Weimin Zhang, Karen M. Siegrist, Susan K. Gregurick
Abstract: Terahertz (THz) spectra of the crystalline VA class dipeptide nanotubes were calculated at both the harmonic and Vibrational Self-consistent Field (VSCF) level using the CHARMM22 force field with periodic boundary conditions. Comparison of the calcul ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=842523

13. 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

14. 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

15. 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

16. 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

17. 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

18. 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

19. 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

20. 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



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