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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. |
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Jiang RM, Sibert EL. Surface hopping simulation of vibrational predissociation of methanol dimer. Journal of Chemical Physics. 2012;136. |
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Nagesh J, Sibert EL. Infrared Spectra at a Conical Intersection: Vibrations of Methoxy. Journal of Physical Chemistry A. 2012;116:3846-3855. |
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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. |
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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. |
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Mathew NA, Yurs LA, Block SB, Pakoulev AV, Kornau KM, Sibert EL, et al. Fully and Partially Coherent Pathways in Multiply Enhanced Odd-Order Wave-Mixing Spectroscopy. Journal of Physical Chemistry A. 2010;114:817-832. |
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Vergini EG, Sibert EL, Revuelta F, Benito RM, Borondo F. Diagonal matrix elements in a scar function basis set. Epl. 2010;89. |
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Jiang RM, Sibert EL. How Do Hydrogen Bonds Break in Small Alcohol Oligomers?. Journal of Physical Chemistry A. 2009;113:7275-7285. |
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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. |
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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. |
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Barnes GL, Sibert EL. The effects of asymmetric motions on the tunneling splittings in formic acid dimer. Journal of Chemical Physics. 2008;129. |
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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. |
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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. |
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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. |
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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 |
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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. |
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Ramesh SG, Sibert EL. Vibrational relaxation of the CH stretch fundamental in liquid CHBr3. Journal of Chemical Physics. 2006;124. |
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Ramesh SG, Sibert EL. Time scales and pathways of vibrational energy relaxation in liquid CHBr3 and CDBr3. Journal of Chemical Physics. 2006;125. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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 |
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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 |
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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. |
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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. |
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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. |
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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. |
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Gulmen TS, Sibert EL. Vibrational energy relaxation of the OH(D) stretch fundamental of methanol in carbon tetrachloride. Journal of Chemical Physics. 2005;123. |
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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. |
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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 |
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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. |
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Ramesh SG, Sibert EL. Combined perturbative-variational investigation of the vibrations of CHBr3 and CDBr3. Journal of Chemical Physics. 2004;120:11011-11025. |
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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. |
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Ramesh SG, Sibert EL. Combined perturbative-variational investigation of the vibrations of CHBr3 and CDBr3. Journal of Chemical Physics. 2004;120:11011-11025. |
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Gulmen TS, Sibert EL. Vibrational energy relaxation of the OH stretch in liquid methanol. Journal of Physical Chemistry A. 2004;108:2389-2401. |
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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. |
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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. |
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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. |
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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 |
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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. |
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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. |
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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. |
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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. |
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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. |
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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. |
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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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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. |
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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. |
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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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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 DiscussionsFaraday Discussions. 2001;118:315-330. |
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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. 2001;118:315-330. |
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Aarset K, Csaszar AG, Sibert EL, Allen WD, Schaefer HF, Klopper W, et al. Anharmonic force field, vibrational energies, and barrier to inversion of SiH3. Journal of Chemical Physics. 2000;112:4053-4063. |
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Sugny D, Joyeux M, Sibert EL. Investigation of the vibrational dynamics of the HCN/CNH isomers through high order canonical perturbation theory. Journal of Chemical Physics. 2000;113:7165-7177. |
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Wang XG, Sibert EL. A nine-dimensional high order perturbative study of the vibration of silane and its isotopomers. Journal of Chemical Physics. 2000;113:5384-5400. |
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Wang XG, Sibert EL, Child MS. Exact vibration-rotation kinetic energy operators in two sets of valence coordinates for centrally connected penta-atomic molecules. Molecular Physics. 2000;98:317-326. |
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Wang XG, Sibert EL, Martin JML. Anharmonic force field and vibrational frequencies of tetrafluoromethane (CF4) and tetrafluorosilane (SiF4). Journal of Chemical Physics. 2000;112:1353-1366. |
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Sibert EL. A perturbative treatment of classical vibrational-translational energy transfer in collinear collisions of an atom and a diatomic molecule. Chemical Physics Letters. 1999;307:437-444. |
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Wang XG, Sibert EL. A nine-dimensional perturbative treatment of the vibrations of methane and its isotopomers. Journal of Chemical Physics. 1999;111:4510-4522. |
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Mardis KL, Sibert EL. The effect of nonadiabatic coupling on the calculation of N(E,J) for the methane association reaction. Journal of Chemical Physics. 1998;109:8897-8906. |
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Mardis KL, Sibert EL. The effectiveness of Newton's method for improving ab initio force fields with applications to CO2 and H2CO. Journal of Molecular Spectroscopy. 1998;187:167-178. |
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Karabulut H, Sibert EL. Distributed Gaussian polynomials and associated Gaussian quadratures. Journal of Mathematical Physics. 1997;38:4815-4831. |
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Karabulut H, Sibert EL. Trigonometric discrete variable representations. Journal of Physics B-Atomic Molecular and Optical Physics. 1997;30:L513-L516. |
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Mardis KL, Sibert EL. Derivation of rotation-vibration Hamiltonians that satisfy the Casimir condition. Journal of Chemical Physics. 1997;106:6618-6621. |
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Pak Y, Sibert EL, Woods RC. Coupled cluster anharmonic force fields, spectroscopic constants, and vibrational energies of AlF3 and SiF3+. Journal of Chemical Physics. 1997;107:1717-1724. |
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Sibert EL, Borondo F. A time dependent view of the statistics of spectral intensities. Ach-Models in Chemistry. 1997;134:595-609. |
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Sibert EL. The early stages of the exploration of phase space. I. The formic acid ion HCOOH+. Experiment and theory - Comment. Ach-Models in Chemistry. 1997;134:693-694. |
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Sibert EL. Models of intramolecular energy redistribution spanning deterministic and statistical approaches: Comparison with experiment - Comment. Ach-Models in Chemistry. 1997;134:659-659. |
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Sibert EL, Jost R. Predictions of local random matrix theory for vibrational mixing and energy flow in polyatomics - Comment. Ach-Models in Chemistry. 1997;134:673-675. |
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Burleigh DC, McCoy AB, Sibert EL. An accurate quartic force field for formaldehyde. Journal of Chemical Physics. 1996;104:480-487. |
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McCoy AB, Sibert EL. The bending dynamics of acetylene. Journal of Chemical Physics. 1996;105:459-468. |
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Sibert EL, McCoy AB. Quantum, semiclassical and classical dynamics of the bending modes of acetylene. Journal of Chemical Physics. 1996;105:469-478. |
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Mayrhofer RC, Sibert EL. INVESTIGATING OPTIMAL COORDINATES FOR DESCRIBING VIBRATIONAL MOTION. Theoretica Chimica Acta. 1995;92:107-122. |
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Walker RA, Richard E, Lu KT, Sibert EL, Weisshaar JC. INTENSITIES OF FORBIDDEN PURE TORSIONAL BANDS IN S-1-S-0 SPECTRA OF TOLUENES. Journal of Chemical Physics. 1995;102:8718-8724. |
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Tobiason JD, Utz AL, Sibert EL, Crim FF. NORMAL-MODES ANALYSIS OF (A)OVER-TILDE-STATE ACETYLENE BASED ON DIRECTLY OBSERVED FUNDAMENTAL VIBRATIONS. Journal of Chemical Physics. 1993;99:5762-5767. |
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Burleigh DC, Sibert EL. A RANDOM MATRIX APPROACH TO ROTATION VIBRATION MIXING IN H2CO AND D2CO. Journal of Chemical Physics. 1993;98:8419-8431. |
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Sibert EL, Mayrhofer RC. HIGHLY EXCITED VIBRATIONAL-STATES OF ACETYLENE - A VARIATIONAL CALCULATION. Journal of Chemical Physics. 1993;99:937-944. |
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McCoy AB, Sibert EL. AN ALGEBRAIC APPROACH TO CALCULATING ROTATION VIBRATION-SPECTRA OF POLYATOMIC-MOLECULES. Molecular Physics. 1992;77:697-708. |
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McCoy AB, Sibert EL. DETERMINING POTENTIAL-ENERGY SURFACES FROM SPECTRA - AN ITERATIVE APPROACH. Journal of Chemical Physics. 1992;97:2938-2947. |
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Colbert DT, Sibert EL. THEORY OF VIBRATIONALLY MEDIATED PHOTODISSOCIATION OF HOOH - DELOCALIZED TAILS IN A LOCALIZED WAVE-FUNCTION. Journal of Chemical Physics. 1991;94:6519-6545. |
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McCoy AB, Burleigh DC, Sibert EL. ROTATION VIBRATION INTERACTIONS IN HIGHLY EXCITED-STATES OF SO2 AND H2CO. Journal of Chemical Physics. 1991;95:7449-7465. |
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McCoy AB, Sibert EL. PERTURBATIVE CALCULATIONS OF VIBRATIONAL (J=0) ENERGY-LEVELS OF LINEAR-MOLECULES IN NORMAL COORDINATE REPRESENTATIONS. Journal of Chemical Physics. 1991;95:3476-3487. |
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McCoy AB, Sibert EL. CALCULATION OF INFRARED INTENSITIES OF HIGHLY EXCITED VIBRATIONAL-STATES OF HCN USING VANVLECK PERTURBATION-THEORY. Journal of Chemical Physics. 1991;95:3488-3493. |
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Peterson KA, Mayrhofer RC, Sibert EL, Woods RC. COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD POTENTIAL-ENERGY SURFACES, DIPOLE-MOMENT FUNCTIONS, AND SPECTROSCOPIC PROPERTIES OF O-3, CF2, NO2-, AND NF2+. Journal of Chemical Physics. 1991;94:414-430. |
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Sibert EL. VARIATIONAL AND PERTURBATIVE DESCRIPTIONS OF HIGHLY VIBRATIONALLY EXCITED MOLECULES. International Reviews in Physical Chemistry. 1990;9:1-27. |
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Colbert DT, Sibert EL. VARIABLE CURVATURE COORDINATES FOR MOLECULAR VIBRATIONS. Journal of Chemical Physics. 1989;91:350-363. |
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Sibert EL. CORRECTIONS TO THE BORN-OPPENHEIMER TREATMENT OF THE TUNNELING SPLITTING IN THE HF DIMER. Journal of Physical Chemistry. 1989;93:5022-5024. |
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Sibert EL. ROTATIONALLY INDUCED VIBRATIONAL MIXING IN FORMALDEHYDE. Journal of Chemical Physics. 1989;90:2672-2683. |
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Burleigh DC, Mayrhofer RC, Sibert EL. ROTATION VIBRATION INTERACTIONS BETWEEN THE 2 LOWEST FREQUENCY MODES IN FORMALDEHYDE. Journal of Chemical Physics. 1988;89:7201-7216. |
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Sibert EL. VANVLK - AN ALGEBRAIC MANIPULATION PROGRAM FOR CANONICAL VANVLECK PERTURBATION-THEORY. Computer Physics Communications. 1988;51:149-160. |
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Sibert EL. THEORETICAL-STUDIES OF VIBRATIONALLY EXCITED POLYATOMIC-MOLECULES USING CANONICAL VANVLECK PERTURBATION-THEORY. Journal of Chemical Physics. 1988;88:4378-4390. |
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Sibert EL. A PERTURBATIVE STUDY OF LOW-ORDER RESONANCES AND CHAOS IN THE KINETICALLY COUPLED 2-DEGREE-OF-FREEDOM MORSE SYSTEM USING LIE TRANSFORMS. Chemical Physics Letters. 1986;128:404-410. |
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Sibert EL. A 3-DIMENSIONAL SEMICLASSICAL QUANTIZATION OF H2O. Journal of Chemical Physics. 1985;83:5092-5104. |
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Hutchinson JS, Sibert EL, Hynes JT. QUANTUM DYNAMICS OF ENERGY-TRANSFER BETWEEN BONDS IN COUPLED MORSE OSCILLATOR-SYSTEMS. Journal of Chemical Physics. 1984;81:1314-1326. |
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Sibert EL, Hynes JT, Reinhardt WP. CLASSICAL DYNAMICS OF HIGHLY EXCITED CH AND CD OVERTONES IN BENZENE AND PERDEUTEROBENZENE. Journal of Chemical Physics. 1984;81:1135-1144. |
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Sibert EL, Reinhardt WP, Hynes JT. INTRAMOLECULAR VIBRATIONAL-RELAXATION AND SPECTRA OF CH AND CD OVERTONES IN BENZENE AND PERDEUTEROBENZENE. Journal of Chemical Physics. 1984;81:1115-1134. |
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Sibert EL, Hynes JT, Reinhardt WP. FERMI RESONANCE FROM A CURVILINEAR PERSPECTIVE. Journal of Physical Chemistry. 1983;87:2032-2037. |
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Sibert EL, Hutchinson JS, Reinhardt WP, Hynes JT. LOCAL MODE ENERGY-TRANSFER - EBB AND FLOW. International Journal of Quantum Chemistry. 1982;:375-383. |
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Sibert EL, Hynes JT, Reinhardt WP. QUANTUM-MECHANICS OF LOCAL MODE ABA TRIATOMIC-MOLECULES. Journal of Chemical Physics. 1982;77:3595-3604. |
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Sibert EL, Reinhardt WP, Hynes JT. INTRAMOLECULAR VIBRATIONAL-RELAXATION OF CH OVERTONES IN BENZENE. Chemical Physics Letters. 1982;92:455-458. |
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Sibert EL, Reinhardt WP, Hynes JT. CLASSICAL DYNAMICS OF ENERGY-TRANSFER BETWEEN BONDS IN ABA TRIATOMICS. Journal of Chemical Physics. 1982;77:3583-3594. |
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Lewis DK, Greaney MA, Sibert EL. STEREOCHEMISTRY OF MOLECULAR-HYDROGEN ELIMINATION FROM CYCLOPENTENE AT 1100-1300-K. Journal of Physical Chemistry. 1981;85:1783-1786. |
