| PHYS | Wednesday, August 22, 2007 | ||
7:00 PM-9:00 PM BCEC -- Exhibit Hall - B2, Poster | |||
Physical Chemistry Poster Session | |||
| Excited Electronic States in Chemistry and Biology: Theory and Experiment | |||
| Organizer: | Gregory A. Voth | ||
| 495 | Spectral properties, gormation of the dye molecular aggregates and vapochromism of adsorbed dyes in thin silica gel matrix Vladimir Mikhailovich Aristarkhov Sr. | ||
| 496 | A simplified MP/SOFT algorithm for simulations of nonadiabatic quantum dynamics Xin Chen, Victor S. Batista | ||
| 497 | Excited state solvation of malononitriles Chet Swalina, Sergei Arzhantzev, Hui Jin, Mark Maroncelli | ||
| 498 | LANDmap with re-focusing: A new semi-classical method for extending a short time approximation to compute non-adiabatic dynamics at long times Lina Chen, Sara Bonella, David F Coker | ||
| 499 | Mixed quantum-classical dynamics and surface hopping methods Emily Rebecca Dunkel, David F. Coker | ||
| 500 | Modeling vibrational pure dephasing or decoherence in condensed phase Zhonghua Ma, David F Coker | ||
| 501 | QM/MM modeling of the photochemistry of photoreceptors of biological interest Pedro B. Coto, Sergio Martí, Monica Oliva, Juan Andrés, Massimo Olivucci, Manuela Merchán | ||
| 502 | Simulated excited state intramolecular proton transfer in 3-hydroxyflavone Yann P. Tambouret, David F. Coker | ||
| 503 | Studies on phototherapy: Psoralen Luis Serrano-Andrés, Manuela Merchán, Juan José Serrano-Pérez | ||
| 504 | Paper Withdrawn | ||
| 505 | Bioexcimers as precursors of charge transfer and reactivity in photobiology Manuela Merchán, Luis Serrano-Andrés, Mercedes Rubio, Daniel Roca-Sanjuán, Gloria Olaso-González, Israel González-Ramírez | ||
| 506 | Effect of secondary structure on the electronic excited state dynamics of d(GC)9 Kimberly D de La Harpe, Carlos E Crespo-Hernández, Bern Kohler | ||
| 507 | Ultrafast energy relaxation in DNA/RNA base monomers Luis Serrano-Andrés, Manuela Merchán, Remedios González-Luque, Teresa Climent, Antonio Carlos Borin | ||
| 508 | Ultrafast nonradiative deactivation dynamics of electronically excited nucleobases: Resolution of the gas vs. solution phase mystery Nina K. Schwalb, Friedrich E. E. Temps | ||
| 509 | Carrier dynamics in single conjugated polymer nanoparticles Craig J. Szymanski, Zachary Cain, Changfeng Wu, Jason D. McNeill | ||
| 510 | Chemical control of photoexcited states in titanate nanostructures Oliver Diwald, Alexander Riss, Thomas Berger, Hinrich Grothe, Johannes Bernardi, Erich Knözinger | ||
| 511 | Conformer-selected photodissociation: Ab initio multiple spawning dynamics of excited propanal cation Hongli Tao, Todd J. Martínez | ||
| 512 | Decomposition mechanism of firefly dioxetanone in the enzyme luciferase Hironori Sakai, Naohisa Wada, Masami Kusunoki | ||
| 513 | Does Nature perform quantum algorithms? Masoud Mohseni, Ali Najmaie, Ivan Kassal, Alán Aspuru-Guzik | ||
| 514 | Effect of solvent on the spectral and excited state decay properties of alkylamino substituted 2,5-diarylidenecyclopentanone dyes Christopher A. Zoto, Mine G. Ucak-Astarlioglu, Chuchawin Changtong, Robert E. Connors | ||
| 515 | Effects of substituents on synthetic analogs of chlorophylls Hooi Ling Kee, Christine Kirmaier, Qun Tang, James R. Diers, Chinnasamy Muthiah, Masahiko Taniguchi, Joydev K. Laha, Marcin Ptaszek, Jonathan S. Lindsey, David F. Bocian, Dewey Holten | ||
| 516 | Excited state dynamics of para-nitroanilines probed by fs/ps CARS Benjamin D. Prince, Mikhail N. Slipchenko, Beth M. Prince, Alex J. Blom, Hans U. Stauffer | ||
| 517 | Femtosecond time-resolved absorption spectroscopy of carotenoids Harry A. Frank, Hong Cong, Dariusz Niedzwiedzki, George N. Gibson | ||
| 518 | Fluorescent proteins: Benchmarking computational methods against new experimental measurements Alex Brown, Qadir Timerghazin, Chen Liang, Haley Carlson, Robert E Campbell | ||
| 519 | Hybrid density functional theory study of photoluminescence spectra of platinum II porphine and platinum II octaethylporphine Cristian V. Diaconu, Richard L. Martin, Darryl L. Smith, Enrique R. Batista, Brian K. Crone, Scott A. Crooker, Ian H. Campbell | ||
| 520 | Investigating substituent effects on low-barrier hydrogen bonding Chandrima Chatterjee, Stacy A. Broadbent, Patrick H. Vaccaro, Bruce R. Johnson | ||
| 521 | Isomerization dynamics and large-amplitude vibrational motion in electronically excited acetylene Adam H. Steeves, Hans A. Bechtel, Anthony J. Merer, Nami Yamakita, Annelise Beck, Robert W. Field | ||
| 522 | Pathways and dynamics of excited-state energy flow in self-assembled wheel-and-spoke light-harvesting architectures Hee-eun Song, Christine Kirmaier, Jennifer K. Schwartz, Eve Hindin, Lianhe Yu, David F. Bocian, Jonathan S. Lindsey, Dewey Holten | ||
| 523 | Photodissociation dynamics of thiophenol: Observation of the intramolecular orbital alignment Jeong Sik Lim, Ivan S. Lim, Yoon Sup Lee, Sang Kyu Kim | ||
| 524 | Photoexcitation of corners and edges of MgO nanocubes Oliver Diwald, Slavica Stankic, Markus Müller, Martin Sterrer, Johannes Bernardi, Erich Knözinger, Peter V. Sushko, Paolo Trevisanutto, Alexander L. Shluger | ||
| 525 | Photoluminescence-variations of CdSe quantum dots and its relation to interactions of solvents and dissolved molecules on surface states Vasudevanpillai Biju, Tamitake Itoh, Mitsuru Ishikawa | ||
| 526 | Photophysical properties of emissive cryptophane-based molecules and their heavy atom containing complexes Heather A. Fogarty, Thierry Brotin, Jean-Pierre Dutasta | ||
| 527 | Photophysics of fluorescent rhodamine dyes Xiangzhi Song, James W Foley | ||
| 528 | Radiationless electronic relaxation of prototypical aromatic molecules by femtosecond time-of-flight mass spectrometry and photoelectron imaging Harald Studzinski, Song Zhang, Falk Renth, Friedrich E. E. Temps | ||
| 529 | Reaction pathways and excited states in H2O2 + OH →HO2 + H2O: A new ab initio investigation Bojana Ginovska, Donald M. Camaioni, Michel Dupuis | ||
| 530 | Solvent-dependent ultrafast excited state energy flow in a push-pull stilbene probed by fs/ps CARS Beth M. Prince, Mikhail N. Slipchenko, Benjamin D. Prince, Abhijit Chakraborty, Alex J. Blom, Hans U. Stauffer | ||
| 531 | Spectra and dynamics of molecules in long-lived, highly reactive triplet states Wilton L. Virgo, Kyle L. Bittinger, Robert W. Field | ||
| 532 | Structure and dynamics at soft interfaces in OPV materials Larry W Barbour, Maureen Hegadorn, Ryan D Pensack, John B Asbury | ||
| 533 | Structure and electronic coupling element of the TCNE/TCNE-• association in solution — A polarizable continuum model study Qian Wang, Marshall D. Newton | ||
| 534 | Subpicosecond protein backbone changes during the proteorhodopsin primary photoreaction Jason J. Amsden, Joel M. Kralj, Logan Chieffo, Xihua Wang, Shyamsunder Erramilli, Elena N. Spudich, John L. Spudich, Lawrence Ziegler, Kenneth J. Rothschild | ||
| 535 | Surface effects on QD-based energy transfer Smita Dayal, Clemens Burda | ||
| 536 | Theoretical and experimental investigations about the mechanism of the o-nitrobenzyl photochemistry Klaus Schaper, Filiz Bley, Daniela Maydt | ||
| 537 | Unraveling photoisomerization pathway of cis,trans- and cis,cis-distyrylbenzene Feng-Cheng Hsu, Sheng Hsien Lin, Juen-Kai Wang | ||
| 538 | UV-Vis Spectra and RSA properties of phthalocyanine compounds Jan Andzelm, Adam M. Rawlett, Joshua A. Orlicki, James F. Snyder, Kim K Baldridge | ||
| 539 | Vibronic excitation patterns influenced by energy transfer Mino Yang | ||
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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007