All Department Publications

Found 103 results
Author Title Type [ Year(Asc)]
Filters: Author is Sibert, E. L.  [Clear All Filters]
2013
Buchanan EG, Dean JC, Zwier TS, Sibert EL. Towards a first-principles model of Fermi resonance in the alkyl CH stretch region: Application to 1,2-diphenylethane and 2,2,2-paracyclophane. Journal of Chemical Physics. 2013;138.
2012
Nagesh J, Sibert EL. Infrared Spectra at a Conical Intersection: Vibrations of Methoxy. Journal of Physical Chemistry A. 2012;116:3846-3855.
Jiang RM, Sibert EL. Surface hopping simulation of vibrational predissociation of methanol dimer. Journal of Chemical Physics. 2012;136.
2011
Baiz CR, Kubarych KJ, Geva E, Sibert EL. Local-Mode Approach to Modeling Multidimensional Infrared Spectra of Metal Carbonyls. Journal of Physical Chemistry A. 2011;115:5354-5363.
2010
Vergini EG, Sibert EL, Revuelta F, Benito RM, Borondo F. Diagonal matrix elements in a scar function basis set. Epl. 2010;89.
Mathew NA, Yurs LA, Block SB, Pakoulev AV, Kornau KM, Sibert EL, Wright JC. Fully and Partially Coherent Pathways in Multiply Enhanced Odd-Order Wave-Mixing Spectroscopy. Journal of Physical Chemistry A. 2010;114:817-832.
Nagesh J, Sibert EL. Vibrational dynamics around the conical intersection: a study of methoxy vibrations on the (X)over-tilde(2)E surface. Physical Chemistry Chemical Physics. 2010;12:8250-8259.
2009
Jiang RM, Sibert EL. How Do Hydrogen Bonds Break in Small Alcohol Oligomers?. Journal of Physical Chemistry A. 2009;113:7275-7285.
2008
Barnes GL, Sibert EL. The effects of asymmetric motions on the tunneling splittings in formic acid dimer. Journal of Chemical Physics. 2008;129.
Barnes GL, Sibert EL. Elucidating energy disposal pathways following excitation of the symmetric OH stretching band in formic acid dimer. Chemical Physics Letters. 2008;460:42-45.
Barnes GL, Sibert EL. An equilibrium focused approach to calculating the Raman spectrum of the symmetric OH stretch in formic acid dimer. Journal of Molecular Spectroscopy. 2008;249:78-85.
Sibert EL, Vergini E, Benito RM, Borondo F. Quantum localization through interference on homoclinic and heteroclinic circuits. New Journal of Physics [Internet]. 2008;10. Available from: <Go to ISI>://WOS:000255794300004
Barnes GL, Squires SM, Sibert EL. Symmetric double proton tunneling in formic acid dimer: A diabatic basis approach. Journal of Physical Chemistry B. 2008;112:595-603.
Lin YS, Ramesh SG, Shorb JM, Sibert EL, Skinner JL. Vibrational energy relaxation of the bend fundamental of dilute water in liquid chloroform and d-chloroform. Journal of Physical Chemistry B. 2008;112:390-398.
Sibert EL, Ramesh SG, Gulmen TS. Vibrational Relaxation of OH and CH Fundamentals of Polar and Nonpolar Molecules in the Condensed Phase. Journal of Physical Chemistry A. 2008;112:11291-11305.
2006
Jung C, Taylor HS, Sibert EL. Assignment and extraction of dynamics of a small molecule with a complex vibrational spectrum: Thiophosgene. Journal of Physical Chemistry A [Internet]. 2006;110:5317-5325. Available from: <Go to ISI>://WOS:000237163300011
Jung C, Taylor HS, Sibert EL. Assignment and extraction of dynamics of a small molecule with a complex vibrational spectrum: Thiophosgene. Journal of Physical Chemistry AJournal of Physical Chemistry A Molecules. 2006;110:5317-5325.
Sprague MM, Ramesh SG, Sibert EL. Combination of perturbative and variational methods for calculating molecular spectra: Calculation of the v=3-5 CH stretch overtone spectrum of CHF3 - art. no. 114307. Journal of Chemical Physics. 2006;124:14307.
Iung C, Ribeiro F, Sibert EL. Comparison of perturbative and variational treatments of molecular vibrations: Application to the vibrational spectrum of HFCO up to 8000 cm(-1). Journal of Physical Chemistry A [Internet]. 2006;110:5420-5429. Available from: <Go to ISI>://WOS:000237163300023
Iung C, Ribeiro F, Sibert EL. Comparison of perturbative and variational treatments of molecular vibrations: Application to the vibrational spectrum of HFCO up to 8000 cm(-1). Journal of Physical Chemistry AJournal of Physical Chemistry A Molecules. 2006;110:5420-5429.
Florio GM, Sibert EL, Zwier TS. Fluorescence-dip IR spectra of jet-cooled benzoic acid dimer in its ground and first excited singlet states. Faraday Discussions. 2006;110:5317-5325.
Sibert EL, Gruebele M. Molecular vibrational energy flow and dilution factors in an anharmonic state space - art. no. 024317. Journal of Chemical Physics. 2006;124:24317.
Ramesh SG, Sibert EL. Relaxation of the CH stretch in liquid CHBr3: Solvent effects and decay rates using classical nonequilibrium simulations. Journal of Chemical Physics. 2006;125.
Ramesh SG, Sibert EL. Time scales and pathways of vibrational energy relaxation in liquid CHBr3 and CDBr3. Journal of Chemical Physics. 2006;125.
Ramesh SG, Sibert EL. Vibrational relaxation of the CH stretch fundamental in liquid CHBr3. Journal of Chemical Physics. 2006;124.
2005
Gulmen TS, Sibert EL. Fluctuating energy level Landau-Teller theory: Application to the vibrational energy relaxation of liquid methanol. Journal of Physical Chemistry AJournal of Physical Chemistry A Molecules. 2005;109:5777-5780.
Gulmen TS, Sibert EL. Fluctuating energy level Landau-Teller theory: Application to the vibrational energy relaxation of liquid methanol. Journal of Physical Chemistry A [Internet]. 2005;109:5777-5780. Available from: <Go to ISI>://WOS:000230225000001
Ramesh SG, Sibert EL. A study of the vibrations of fluoroform with a sixth order nine-dimensional potential: a combined perturbative-variational approach. Molecular Physics. 2005;103:149-162.
Ramesh SG, Sibert EL. A study of the vibrations of fluoroform with a sixth order nine-dimensional potential: a combined perturbative-variational approach. Molecular Physics. 2005;103:149-162.
Sibert EL, Castillo-Chara J. Theoretical studies of the potential surface and vibrational spectroscopy of CH3OH and its deuterated analogs - art. no. 194306. Journal of Chemical Physics. 2005;122:94306.
Sibert EL, Castillo-Chara J. Theoretical studies of the potential surface and vibrational spectroscopy of CH3OH and its deuterated analogs. Journal of Chemical Physics. 2005;122.
Gulmen TS, Sibert EL. Vibrational energy relaxation of the OH(D) stretch fundamental of methanol in carbon tetrachloride. Journal of Chemical Physics. 2005;123.
Gulmen TS, Sibert EL. Vibrational energy relaxation of the OH(D) stretch fundamental of methanol in carbon tetrachloride - art. no. 204508. Journal of Chemical Physics. 2005;123:4508.
2004
Ramesh SG, Sibert EL. Combined perturbative-variational investigation of the vibrations of CHBr3 and CDBr3. Journal of Chemical Physics. 2004;120:11011-11025.
Ramesh SG, Sibert EL. Combined perturbative-variational investigation of the vibrations of CHBr3 and CDBr3. Journal of Chemical Physics. 2004;120:11011-11025.
Gulmen TS, Sibert EL. Vibrational energy relaxation of the OH stretch in liquid methanol. Journal of Physical Chemistry A. 2004;108:2389-2401.
Gulmen TS, Sibert EL. Vibrational energy relaxation of the OH stretch in liquid methanol. Journal of Physical Chemistry A MoleculesJournal of Physical Chemistry A Molecules. 2004;108:2389-2401.
2003
Castillo-Chara J, Sibert EL. Full dimensional theoretical study of the torsion-vibration eigenstates and torsional splittings of CH3OH. Journal of Chemical Physics. 2003;119:11671-11681.
Castillo-Chara J, Sibert EL. Full dimensional theoretical study of the torsion-vibration eigenstates and torsional splittings of CH3OH. Journal of Chemical Physics. 2003;119:11671-11681.
Myshakin EM, Jordan KD, Sibert EL, Johnson MA. Large anharmonic effects in the infrared spectra of the symmetrical CH3NO2-center dot(H2O) and CH3CO2-center dot(H2O) complexes. Journal of Chemical Physics. 2003;119:10138-10145.
Myshakin EM, Jordan KD, Sibert EL, Johnson MA. Large anharmonic effects in the infrared spectra of the symmetrical CH3NO2-center dot(H2O) and CH3CO2-center dot(H2O) complexes. Journal of Chemical Physics. 2003;119:10138-10145.
Yoon S, Holiday RJ, Sibert EL, Crim FF. The relative reactivity of CH3D molecules with excited symmetric and antisymmetric stretching vibrations. Journal of Chemical Physics. 2003;119:9568-9575.
Yoon S, Holiday RJ, Sibert EL, Crim FF. The relative reactivity of CH[sub 3]D molecules with excited symmetric and antisymmetric stretching vibrations. The Journal of Chemical Physics [Internet]. 2003;119:9568-9575. Available from: http://link.aip.org/link/?JCP/119/9568/1
Florio GM, Zwier TS, Myshakin EM, Jordan KD, Sibert EL. Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings. Journal of Chemical Physics. 2003;118:1735-1746.
Florio GM, Zwier TS, Myshakin EM, Jordan KD, Sibert EL. Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings. Journal of Chemical Physics. 2003;118:1735-1746.
2002
Wang XG, Sibert EL. A perturbative calculation of the rovibrational energy levels of methane. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy. 2002;58:863-872.
Wang XG, Sibert EL. A perturbative calculation of the rovibrational energy levels of methane. Spectrochimica Acta Part A-Molecular SpectroscopySpectrochimica Acta Part A-Molecular Spectroscopy. 2002;58:863-872.
Zuniga J, Bastida A, Requena A, Sibert EL. A theoretical study of the vibrational spectrum of the CS2 molecule. Journal of Chemical Physics. 2002;116:7495-7508.
Zuniga J, Bastida A, Requena A, Sibert EL. A theoretical study of the vibrational spectrum of the CS2 molecule. Journal of Chemical PhysicsJournal of Chemical Physics. 2002;116:7495-7508.
Sibert EL, Rey R. Vibrational relaxation in liquid chloroform following ultrafast excitation of the CH stretch fundamental. Journal of Chemical Physics. 2002;116:237-257.

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