SELECTED PUBLICATIONS
PUBLICATIONS
GROUP MEMBERS
"Fluorescence
and Ultraviolet Absorption Spectra of Coumaran and Its Ring-Puckering Potential
Energy Function in the S1(π,π*) State" J.
Yang, M. Wagner, K. Okuyama, K. Morris, Z. Arp, J. Choo, N. Meinander,
Ohyun Kwon, and
J. Laane, J.
Chem. Phys., Submitted (2006).
"The S0
Ring-Puckering Potential Energy Function for Coumaran" J.
Yang, K. Okuyama, K. Morris, and J. Laane,
J. Phys. Chem.
A, 109, 8290-8292 (2005).
"Synthesis,
Raman Spectrum, Ab Initio Calculations, and Structure of
3,7-Dioxabicyclo[3.3.0]oct-1,5-ene" C.
Mlynek, H. Hopf, J. Yang, and J. Laane, J.
Mol. Struct., 742, 161-164 (2005).
"Raman Signature of the Non-Hydrogen-Bonded Tryptophan Side Chain in Proteins: Experimental and Ab Initio Spectra of 3-Methylindole in the Gas Phase" A. Combs, K. McCann, D. Autrey, J. Laane, S.A. Overman and G.T. Thomas, Jr., J. Mol. Struct., 735-736 271-278 (2005).
"Ultraviolet
Cavity Ringdown Spectra of 2-Cyclohexen-1-one and its Potential Energy
Function and Structure for the Electronic Ground State" E.
J. Gilles, J. Choo, D. Autrey, M. Rishard, S. Drucker, and J. Laane, Can.
J. Chem., 82, 867-872 (2004).
"Vibrational
Frequencies and Structure of Cyclopropenone from Ab Initio
Calculations" J.
Yang, K. McCann, and J. Laane, J.
Mol. Struct., 695-696, 339-344 (2004).
"Vibrational
Spectra, Ab Initio Calculations, and Conformations of
Bicyclo[3.3.0]oct-1,5-ene" D.
Autrey, K. Haller, J. Laane, C. Mlynek, and H. Hopf, J.
Phys. Chem., 108, 403-408 (2004).
"A
Two-Dimensional Potential Energy Surface and Associated Quantum States for
the Ring-Puckering Vibrations of Two Equivalent Rings. A Study of
Bicyclo[3.3.0]oct-1,5-ene" D.
Autrey, N. Meinander, and J. Laane,
J. Phys.
Chem., 108, 409-416 (2004).
"Vibrational Spectra and DFT Calculations of Tetralin and 1,4-Benzodioxan" D. Autrey, J. Yang, and J. Laane, J. Mol. Struct., 661-662, 23-32 (2003).
"Density Functional Calculations, Structure, and Vibrational Frequencies of 2-Cyclopenten-1-one in its S0, S1(n,π*), T1(n,π*), and T2(π,π*) States" J. Choo, S. Kim, S. Drucker, and J. Laane, J. Phys. Chem. A, 107, 10655-10659 (2003).
"Lowest n,π* Triplet State of 2-Cyclopenten-1-one: Cavity Ringdown Absorption Spectrum and Ring-Bending Potential-Energy Function" N. Pillsbury, J. Choo, J. Laane, and S. Drucker, J. Phys. Chem. A, 107, 10648-10654 (2003).
Feature Article: "Raman Spectroscopy of Vapors at Elevated Temperatures" J. Laane, K. Haller, S. Sakurai, K. Morris, D. Autrey, Z. Arp, W.-Y. Chiang, and A. Combs, J. Mol. Struct., 650, 57-68 (2003).
"Vibrational Spectra, Ab Initio Calculations, and Conformations of Bicyclo[3.3.0]oct-1,5-ene" D. Autrey, K. Haller, J. Laane, C. Mlynek, and H. Hopf, J. Phys. Chem., 108, 403-408 (2003).
"A Two-Dimensional Potential Energy Surface and Associated Quantum States for the Ring-Puckering Vibrations of Two Equivalent Rings. A Study of Bicyclo[3.3.0]oct-1,5-ene" D. Autrey, N. Meinander, and J. Laane, J. Phys. Chem. 108, 409-416 (2003).
"Laser-Induced Fluorescence, Electronic Absorption, Infrared and Raman Spectra, and Ab Initio Calculations of 1,2-Dihydronaphthalene. Investigation of the Out-of-Plane Ring Modes for the Ground and S1(π,π*) Excited States" D. Autrey, Z. Arp, J. Choo, and J. Laane, J. Chem. Phys., 119 (5), 2557-2568 (2003).
"Spectroscopic Determination of the Two-Dimensional Vibrational Potential Energy Surfaces for the Ring-Puckering and Ring-Flapping Modes of Indan in its S0 and S1(π,π*)Electronic States" Z. Arp, N. Meinander, J. Choo, and J. Laane, J. Chem. Phys., 116, 6648-6655 (2002).
"Spectroscopic Determination of Potential Energy Surfaces for the Out-of-Plane Ring Vibrations of Indan and Related Molecules in the S0 and S1(π,π*)States" J. Laane, Z. Arp, S. Sakurai, K. Morris, N. Meinander, T. Klots, E. Bondoc, K. Haller, J. Choo, in Low-Lying Potential Energy Surfaces, M. Hoffman and K. Dyall (eds.), ACS Symposium Series 828, Washington, D.C., pp. 380-399 (2002).
"Laser-Induced Fluorescence Spectra and Torsional Potential Energy Functions of Jet-Cooled 4,4'-Dimethyl-trans-Stilbene" Z. Arp, J. Laane, A. Sakamoto, and M. Tasumi, J. Phys. Chem. 106, 3479-3484 (2002).
"Spectroscopic Determination of the Ring-Twisting Potential Energy Function of 1,3-Cyclohexadiene and Comparison with Ab Initio Calculations" D. Autrey, J. Choo, and J. Laane, J. Phys. Chem. 105, 10230-1-236 (2001).
"Far-Infrared Spectra, Ab Initio Calculations and the Ring-Puckering Potential Energy Function of 2,3-Dihydrofuran" D. Autrey and J. Laane, J. Phys. Chem. 105, 6894-6899 (2001).
Feature Article: "Computation of the Energy Levels of Large Amplitude Low Frequency Vibrations-Comparison of the Prediagonalized Harmonic Basis and the Distributed Guassian Basis" N. Meinander and J. Laane, J. Mol. Struct., 569, 1-24 (2001).
"Tyrosine Raman Signatures of the Filamentous Virus Ff are Diagnostic of Non-Hydrogen-bonded Phenoxyls: Demonstration by Raman and Infrared Spectroscopy of p-Cresol Vapor" Z. Arp, J. Laane, S.A. Overman, and G.J. Thomas, Jr., Biochem., 40, 2522-2529 (2001).
Feature Article: "Experimental Determination of Vibrational Potential Energy Surfaces and Molecular Structures in Electronic Excited States" J. Laane, J. Phys. Chem., 104A, 7715-7733 (2000).
"Fluorescence and Electronic Absorption Spectra of Phthalan. Two-Dimensional Vibrational Potential Energy Surface for the Ring-Puckering and Flapping in the S1(π,π*) State" E. Bondoc, S. Sakurai, K. Morris, W.-Y. Chiang, and J. Laane, J. Chem. Phys., 112, 6700-6706 (2000).
"Far-Infrared and Raman Spectra and Vibrational Potential Energy Surface for the Ring-Puckering and Ring-Flapping of Coumaran" E. Bondoc, T. Klots, and J. Laane, J. Phys. Chem.,104, 275-279 (2000).
"Spectroscopic Determination of the Vibrational Potential Energy Surface and Conformation of 1,3-Benzodioxole in its S1(π,π*) Excited State. The Effect of the Electronic Excitation on the Anomeric Effect" J. Laane, E. Bondoc, S. Sakurai, K. Morris, N. Meinander, and J. Choo, J. Amer. Chem. Soc., 122, 2628-2634 (2000).
"Far-Infrared Spectrum and Ab Initio Calculations for Vinylene Carbonate" D. Autrey, A. del Rosario, and J. Laane, J. Mol. Struct., 550-551, 505-510 (2000).
"Studies of Bisphenol-A-Polycarbonhate Aging by Raman Difference Spectroscopy" S.N. Lee, V. Stolarski, A. Letton, and J. Laane, J. Mol. Struct., 521, 19-24 (2000).
"Far-Infrared and Raman Spectra of the Ring-Puckering Vibration of 2,3-Dihydrothiophene. One- and Two-Dimensional Potential Energy Surfaces and the Barrier to Planarity" E. Bondoc, T. Klots, and J. Laane, J. Phys. Chem. 103, 8772-8776 (1999).
"Spectroscopic Determination of Ground and Excited State Vibrational Potential Energy Surfaces" J. Laane, Intl. Rev. in Phys. Chem., 18, 301-342 (1999).
"Far-Infrared, Raman and Dispersed Fluorescence Spectra, Vibrational Potential Energy Surface, and the Anomeric Effect of 1,3-Benzodioxole" S. Sakurai, N. Meinander, K. Morris, and J. Laane, J. Amer. Chem. Soc., 121, 5056-5062 (1999).
"Vibrational Potential Energy Surfaces for Phthalan and 1,3-Benzodioxole in their S0 and S1(π,π*) States" S. Sakurai, T. Klots, N. Meinander, K. Morris, W. Y. Chiang, E. Bondoc, and J. Laane J. Mol. Struct., 480-481, 189-196 (1999).
"Vibrational Potential Energy Surfaces of Non-Rigid Molecules in Excited Electronic States" J. Laane, in Structure and Dynamics of Electronic Excited States. J. Laane, H. Takahashi, A. Bandrauk (Eds.). Springer-Verlag (1999), 300 pages. ISBN 3-450-63908-X.
"Far-Infrared Spectra and Two-Dimensional Potential Energy Surfaces Involving the Ring-Puckering Vibration of 2,5-Dihydrothiophene" T. Klots, S. N. Lee, and J. Laane, J. Phys. Chem., 103, 833-837 (1998).
"Far-Infrared, Combination Band, and Raman Spectra of the ring-Puckering Vibration of 1,4-Disilacyclohexa-2,5-diene" A. del Rosario, R. Bitschenauer, M. Dakkouri, K. Haller, and J. Laane, J. Phys. Chem., 102, 10261-10264 (1998).
"Far-Infrared Spectra and Two-Dimensional Potential Energy Surface for the Out-of-Plane Ring Vibrations of Tetrahydrofuran-3-one in its S0 and S1(n,π*) Electronic States" S. N. Lee, N. Meinander, P. Sagear, D. N. Nath, and J. Laane, J. Chem. Phys., 108, 21, 8884-8890 (1998).
"Two-Dimensional Vibrational Potential Energy Surface for Phthalan. The Effect of Large Coupling on Vibrational Quantum States" S. Sakurai, N. Meinander, and J. Laane, J. Chem. Phys., 108, 3537-3542 (1998).
"Far-Infrared and Combination-Band Spectra of the Ring-Puckering and Ring-Flapping Vibrations of Phthalan: A Failure of the One-Dimensional Model" T. Klots, S. Sakurai, and J. Laane, J. Chem. Phys., 108, 3531-3536 (1998).