TB. Mini-symposium: New Ways of Understanding Molecular Spectra

Tuesday, 2018-06-19, 08:30 AM
Noyes Laboratory 100
SESSION CHAIR: Renato Lemus (Universidad Nacional Autonoma de Mexico, Mexico City, CDMX Mexico)


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TB01 Contributed Talk 15 min 08:30 AM - 08:45 AM
P2950: NUMERICAL ANALYSIS OF VIBRONIC STRUCTURE OF THE SiCN2Π SYSTEM
MASARU FUKUSHIMA, TAKASHI ISHIWATA, Information Sciences, Hiroshima City University, Hiroshima, Japan;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB01
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TB02 Contributed Talk 15 min 08:47 AM - 09:02 AM
P3357: ARE LINEAR MOLECULES REALLY LINEAR?    I. THEORETICAL PREDICTIONS
TSUNEO HIRANO, Department of Chemistry, Ochanomizu University, Tokyo, Japan; UMPEI NAGASHIMA, , Foundation for Computational Science, Kobe, Japan; PER JENSEN, Faculty of Mathematics and Natural Sciences, University of Wuppertal, Wuppertal, Germany;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB02
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TB03 Contributed Talk 15 min 09:04 AM - 09:19 AM
P3358: ARE LINEAR MOLECULES REALLY LINEAR?    II. RE-INTERPRETATION OF EXPERIMENTAL B0-VALUES.
TSUNEO HIRANO, Department of Chemistry, Ochanomizu University, Tokyo, Japan; UMPEI NAGASHIMA, , Foundation for Computational Science, Kobe, Japan; PER JENSEN, Faculty of Mathematics and Natural Sciences, University of Wuppertal, Wuppertal, Germany;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB03
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TB04 Contributed Talk 15 min 09:21 AM - 09:36 AM
P3359: DIPOLE MOMENTS OF LINEAR MOLECULES: A COMPUTATIONAL MOLECULAR SPECTROSCOPY STUDY
HUI LI, Institute of Theoretical Chemistry, Jilin University, Changchun, China; PER JENSEN, Faculty of Mathematics and Natural Sciences, University of Wuppertal, Wuppertal, Germany; TSUNEO HIRANO, Department of Chemistry, Ochanomizu University, Tokyo, Japan;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB04
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09:38 AM
INTERMISSION

TB05 Contributed Talk 15 min 10:12 AM - 10:27 AM
P3005: THE JAHN-TELLER EFFECT AS A TREATMENT OF MOLECULAR ANHARMONICITY
DAVID S. PERRY, BISHNU P. THAPALIYA, MAHESH B. DAWADI, Department of Chemistry, The University of Akron, Akron, OH, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB05
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TB06 Contributed Talk 15 min 10:29 AM - 10:44 AM
P3201: COMPARING EXPERIMENTAL AND CALCULATED SPECTRAL PARAMETERS FOR JAHN-TELLER ACTIVE MOLECULES. PART I
KETAN SHARMA, SCOTT M. GARNER, TERRY A. MILLER, Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH, USA; JOHN F. STANTON, Physical Chemistry, University of Florida, Gainesville, FL, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB06
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TB07 Contributed Talk 15 min 10:46 AM - 11:01 AM
P3184: COMPARING EXPERIMENTAL AND CALCULATED SPECTRAL PARAMETERS FOR JAHN-TELLER ACTIVE MOLECULES: PART II
SCOTT M. GARNER, KETAN SHARMA, TERRY A. MILLER, Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH, USA; JOHN F. STANTON, Physical Chemistry, University of Florida, Gainesville, FL, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB07
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TB08 Contributed Talk 15 min 11:03 AM - 11:18 AM
P3377: UNDERSTANDING QUANTUM YIELDS IN NAPHTHALENES AND BORON-DIPYRROMETHENES: TOWARDS A PREDICTION OF NON-RADIATIVE DECAY PATHWAYS IN ORGANIC OPTOELECTRONIC MATERIALS
ZHOU LIN, ALEXANDER W. KOHN, TROY VAN VOORHIS, Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, USA;
IDEALS Archive
(Abstract PDF / Presentation File)
DOI:
https://dx.doi.org/10.15278/isms.2018.TB08
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