WI. Comparing theory and experiment

Wednesday, 2014-06-18, 01:30 PM
Chemistry Annex 1024
SESSION CHAIR: Richard Dawes (Missouri University of Science and Technology, Rolla, MO)


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WI01 Contributed Talk 15 min 01:30 PM - 01:45 PM
P463: ROVIBRATIONAL STATES OF HBF+ AND HCO+ ISOTOPOLOGUES UP TO HIGH J: THEORY AND EXPERIMENT
PETER BOTSCHWINA, PETER SEBALD, BENJAMIN SCHRÖDER, Institute of Physical Chemistry, Georg-August-Universität Göttingen, Göttingen, Germany; KENTAROU KAWAGUCHI, Graduate School of Natural Science and Technology , Okayama University, Okayama, Japan; TAKAYOSHI AMANO, Department of Chemistry, University of Waterloo, Waterloo, ON, Canada;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI01
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WI02 Contributed Talk 15 min 01:47 PM - 02:02 PM
P240: A COMPARISON OF THE METHODS OF STUDYING THE SPECTRA OF THE AsH2 RADICAL
GEOFFREY DUXBURY, Department of Physics, University of Strathclyde, Glasgow, United Kingdom; ALEXANDER ALIJAH, GSMA - Champagne Ardennne, Université de Reims, Reims Cedex 2, France;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI02
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WI03 Contributed Talk 15 min 02:04 PM - 02:19 PM
P241: EFFECTS OF SPIN-ORBIT COUPLING ON THE SPIN-ROTATION INTERACTION IN THE AsH2 RADICAL
GEOFFREY DUXBURY, Department of Physics, University of Strathclyde, Glasgow, United Kingdom; ALEXANDER ALIJAH, GSMA - Champagne Ardennne, Université de Reims, Reims Cedex 2, France;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI03
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WI04 Contributed Talk 15 min 02:21 PM - 02:36 PM
P762: HIGH RESOLUTION INFRARED SPECTROSCOPY AND SEMI-EXPERIMENTAL STRUCTURES OF Si2C3 AND Ge2C3
VOLKER LUTTER, THOMAS GIESEN, Institute of Physics, University Kassel, Kassel, Germany; JÜRGEN GAUSS, Institut für Physikalische Chemie, Universität Mainz, Mainz, Germany; SVEN THORWIRTH, I. Physikalisches Institut, Universität zu Köln, Köln, Germany;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI04
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WI05 Contributed Talk 15 min 02:38 PM - 02:53 PM
P153: EXPERIMENTAL AND THEORETICAL STUDIES ON THE ELECTRONIC ABSORPTION SPECTRA OF QUINOLINE CARBOXALDEHYDES
MUSTAFA KUMRU, MUSTAFA KOCADEMIR, HAIDAR M ALFANDA, Department of Physics, Fatih University, Istanbul, Turkey;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI05
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WI06 Contributed Talk 15 min 02:55 PM - 03:10 PM
P526: POLARIZED MATRIX INFRARED SPECTRA OF CYCLOPENTADIENONE - AN IMPORTANT REACTIVE INTERMEDIATE IN COMBUSTION AND BIOMASS PYROLYSIS
THOMAS ORMOND, BARNEY ELLISON, Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO, USA; JOHN F. STANTON, Department of Chemistry, The University of Texas, Austin, TX, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI06
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03:12 PM
INTERMISSION

WI07 Contributed Talk 15 min 03:27 PM - 03:42 PM
P480: CONSISTENT ASSIGNMENT OF THE VIBRATIONS OF MONOHALOSUBSTITUTED BENZENES
JOE HARRIS, ANNA ANDREJEVA, WILLIAM DUNCAN TUTTLE, School of Chemistry, University of Nottingham, Nottingham, United Kingdom; IGOR PUGLIESI, CHRISTIAN SCHRIEVER, Fakultät für Physik, Ludwig-Maximilians-Universität, München, Deutschland; TIM G. WRIGHT, School of Chemistry, University of Nottingham, Nottingham, United Kingdom;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI07
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WI08 Contributed Talk 10 min 03:44 PM - 03:54 PM
P515: CONSISTENT ASSIGNMENT OF THE VIBRATIONS OF CHLORO- AND BROMOBENZENE MOLECULES AND THEIR DEUTERATED ANALOGUES
ANNA ANDREJEVA, JOE HARRIS, WILLIAM DUNCAN TUTTLE, TIM G. WRIGHT, School of Chemistry, University of Nottingham, Nottingham, United Kingdom;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI08
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WI09 Contributed Talk 15 min 03:56 PM - 04:11 PM
P344: ACCURATE ANHARMONIC IR SPECTRA FROM INTEGRATED CC/DFT APPROACH
VINCENZO BARONE, Scuola Normale Superiore, Scuola Normale Superiore, Pisa, Italy; MALGORZATA BICZYSKO, JULIEN BLOINO, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), UOS di Pisa, Consiglio Nazionale delle Ricerche, Pisa, Italy; IVAN CARNIMEO, Scuola Normale Superiore, Scuola Normale Superiore, Pisa, Italy; CRISTINA PUZZARINI, Dep. Chemistry 'Giacomo Ciamician', University of Bologna, Bologna, Italy;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI09
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WI10 Contributed Talk 15 min 04:13 PM - 04:28 PM
P458: A FIRST-PRINCIPLES MODEL OF FERMI RESONANCE IN THE ALKYL CH STRETCH REGION: APPLICATION TO HYDRONAPHTHALENES, INDANES, AND CYCLOHEXANE
EDWIN SIBERT, Department of Chemistry, The Univeristy of Wisconsin, Madison, WI, USA; NATHANAEL KIDWELL, TIMOTHY S. ZWIER, Department of Chemistry, Purdue University, West Lafayette, IN, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI10
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WI11 Contributed Talk 15 min 04:30 PM - 04:45 PM
P318: THE ROLE OF ELECTRICAL ANHARMONICITY IN DETERMINING INTENSITY IN THE 2100 cm−1 REGION OF THE WATER SPECTURM
ANNE B McCOY, Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI11
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WI12 Contributed Talk 10 min 04:47 PM - 04:57 PM
P778: ELECTRONIC STRUCTURE AND SPECTROSCOPY OF O2 AND O2+
GABRIEL J. VAZQUEZ, Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico (UNAM), Cuernavaca, Morelos, Mexico; H. LEFEBVRE-BRION, Institut des Sciences Moléculaires d'Orsay, Université Paris-Sud, Orsay, France; HANS P. LIEBERMANN, Fachbereich C-Physikalische und Theoretische Chemie, Bergische Universität Wuppertal, Wuppertal, Germany;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI12
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WI13 Contributed Talk 15 min 04:59 PM - 05:14 PM
P276: VIBRATIONAL SPECTROSCOPY AND GAS-PHASE THERMOCHEMISTRY OF THE MODEL DIPEPTIDE N-ACETYL GLYCINE METHYL AMIDE
CHRISTOPHER M. LEAVITT, Department of Chemistry, University of Georgia, Athens, GA, USA; PAUL RASTON, School of Chemistry and Physics, The University of Adelaide, Adelaide, South Australia, Australia; GRANT MOODY, CAITLYNE SHIRLEY, GARY E. DOUBERLY, Department of Chemistry, University of Georgia, Athens, GA, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI13
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WI14 Contributed Talk 15 min 05:16 PM - 05:31 PM
P345: EXPERIMENTAL AND THEORETICAL STUDIES OF THE PURE ROTATIONAL SPECTRA OF LEAD HALIDES: PbF AND PbCl
SPENCER NORMAN, RICHARD DAWES, G. S. GRUBBS II, Department of Chemistry, Missouri University of Science and Technology, Rolla, MO, USA; S. A. COOKE, Natural and Social Science, Purchase College SUNY, Purchase, NY, USA; B. E. LONG, Department of Chemistry, Wesleyan University, Middletown, CT, USA; CHRIS DEWBERRY, Chemistry Department, University of Minnesota, Minneapolis, MN, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2014.WI14
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