Eighth Condensed Phase and Interfacial Molecular Science (CPIMS)

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Dr. Jay LaVerne Notre Dame Radiation Laboratory Jay.A.LaVerne.1@nd.edu http://www.rad.nd.edu/faculty/laverne.htm Professor H. Peter Lu Bowling Green State University hplu@bgsu.edu http://www.bgsu.edu/departments/chem/faculty/hplu/peterlu.htm Dr. Sergei Lymar Brookhaven National Laboratory lymar@bnl.gov http://www.bnl.gov/chemistry/bio/LymarSergei.asp Diane Marceau DOE/Basic Energy Sciences diane.marceau@science.doe.gov http://science.energy.gov/bes/csgb/about/staff/ Dr. John Miller Brookhaven National Laboratory jrmiller@bnl.gov http://www.chemistry.bnl.gov/SciandTech/PRC/miller/miller.html Dr. Christopher Mundy Pacific Northwest National Laboratory chris.mundy@pnnl.gov http://www.pnl.gov/science/staff/staff_info.asp?staff_num=5981 Professor Richard Osgood Columbia University osgood@columbia.edu http://www.ee.columbia.edu/fac-bios/osgood/faculty.html Dr. Mark Pederson DOE/Basic Energy Sciences mark.pederson@science.doe.gov http://science.energy.gov/bes/csgb/about/staff/dr-mark-r-pederson/ Professor Hrvoje Petek University of Pittsburgh petek@pitt.edu http://www.ultrafast.phyast.pitt.edu/Home.html 226
Professor Eric Potma University of California, Irvine epotma@uci.edu http://chem.ps.uci.edu/~potma/research.htm Professor Krishnan Raghavachari Indiana University kraghava@indiana.edu http://raghavachari.chem.indiana.edu/ Dr. Eric Rohlfing DOE/Basic Energy Sciences eric.rohlfing@science.doe.gov http://science.energy.gov/bes/csgb/about/staff/dr-eric-a-rohlfing/ Professor Richard Saykally University of California Berkeley saykally@berkeley.edu http://www.cchem.berkeley.edu/rjsgrp/ Dr. Gregory Schenter Pacific Northwest National Laboratory greg.schenter@pnnl.gov http://www.pnl.gov/science/staff/staff_info.asp?staff_num=5615 Professor Steven Sibener Univerity of Chicago s-sibener@uchicago.edu http://sibener-group.uchicago.edu/ Dr. Wade Sisk US DOE/Basic Energy Sciences wade.sisk@science.doe.gov http://science.energy.gov/bes/csgb/about/staff/dr-wade-sisk/ Professor James Skinner University of Wisconsin skinner@chem.wisc.edu http://www.chem.wisc.edu/~skinner/ Professor Timothy Steimle Arizona State University tsteimle@asu.edu http://www.public.asu.edu/~steimle/ 227
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Eighth Condensed Phase and Interfac
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Potential energy landscape of the (
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Agenda
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Session III Chair: Jay A. LaVerne,
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Table of Contents
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Transition Metal-Molecular Interact
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Ultrafast Electron Transport across
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CPIMS Principal Investigator Abstra
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VUV LDPI image of a polymer photore
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Publications based on DOE support (
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entirely quenched, presumably due t
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Future Plans In addition to the TiO
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The relative path indexes of the ur
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We have recently carried out molecu
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have been obtained with γ-rays sug
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Two novel plasma devices have been
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(Figure 2) can be adsorbed exclusiv
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3. Future Plans Our planned work de
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Figure 1: Snap shots from molecular
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6. Varilly, P., A. J. Patel and D.
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hypothesis that delocalized charges
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Efforts will be made to observe ele
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Photochemistry and Solvation Dynami
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complementary to work we have carri
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The Co3O4 films for the optical pum
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chamber will allow us to heat the s
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calculations. Additional PMF calcul
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the gas solute first needs to cross
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laser system, which is an infrared
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Publications (10/1/2009-present) fo
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interest are: (i) What is the diffu
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and anilino groups attached to the
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had been formed. This coincides wit
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Figure 1. (A) Simplified bR photocy
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Figure 4. Photocurrent density of b
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single-file diffusion and cannot ca
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PUBLICATIONS SUPPORTED BY USDOE CHE
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arrangement. However, the hydrogen
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(5) “Water Dynamics in Salt Solut
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from high- energy x-ray diffraction
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concentrated aqueous solutions. The
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molecule’s center of mass, or alt
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Moreover, SHG studies by Saykally
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The effective fragment potential (E
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10. D.D. Kemp, J. Rintelman, M.S. G
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temperature dependent, equilibrium
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mimicking real organic photovoltaic
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100 kHz amplifier, SE-FSRS was succ
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photovoltaics will be explored via
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for laser surface reactions to thes
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This is a significant advantage of
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the STM, which might underlie the u
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Future Plans: Figure 3. One and two
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methane molecule and a lattice atom
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eactive than the Ni, experiment sug
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Fig. 1. PE spectra of M3Oy � (M =
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each of the intermediates obtained
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a regime where each solvent molecul
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observables that arise from subtle
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total potentials. One can see from
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Our calculations have shown that ch
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our understanding of structure and
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viscosity, η, are inversely relate
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photodissociation of the metal - NO
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from a Ru 2p3/2 orbital to an orbit
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Integrated O 2 PSD (ML) Integrated
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anisotropy in the structure of the
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XPS studies have been performed on
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Publications with BES support since
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MLCT (metal to ligand charge transf
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molecule-metal interface without a
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observe the predicted effects, whic
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(4*) Lymar, S. V.; Schwarz, H. A. J
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(τ .820 ns), but we have not been
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B. Photodissociation spectroscopy o
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oth BLYP and PBE. Our results have
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Publications from BES support (2010
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understanding of factors that contr
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Our talk will discussion our initia
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Figure 1 shows the band structure o
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likely to also occur in low coordin
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These results are promising indicat
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This page is intentionally left bla
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method recently developed by Prende
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and coordination regions. A differe
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two ions I - [3] and IO3 - [7]. One
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"Probing the Hydration Structure of
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world-wide scientific user base sup
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10) C. Zhang, M.E. Grass, A.H. McDa
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produce the nanoparticles needed fo
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step as a symmetry-breaking templat
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work provides what we believe in th
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Selected publications acknowledging
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2. Optical Stark study of PtF (Acce
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Figure 4. The Q(3.5) line of the [1
Page 191 and 192: In marked contrast to the selective
Page 193 and 194: y depositing cobalt onto copper sin
Page 195 and 196: Carlo calculations, we have carried
Page 197 and 198: approach on a model phenol-amine pr
Page 199 and 200: We performed pump-probe experiments
Page 201 and 202: 15. “A phenomenological approach
Page 203 and 204: may be initially produced in a non-
Page 205 and 206: 4. Inelastic scattering of hydrogen
Page 207 and 208: Using QM/MM free energy methods we
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Page 211 and 212: gas phase using electrospray ioniza
Page 215 and 216: order of Li + > Na + > K + for comp
Page 217 and 218: 2. MM Meyer, XB Wang, CA Reed, LS W
Page 219 and 220: Technical Approach and Progress to
Page 223 and 224: Ionic liquid synthesis and characte
Page 225 and 226: Studies of structure and reaction d
Page 227 and 228: structure theory that include elect
Page 229 and 230: 9. S. Pandelov, J. C. Werhahn, B. M
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Page 233 and 234: Figure 1 (Left) The HOMO and LUMO e
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Page 237 and 238: Participant List Dr. Musahid Ahmed
Page 239 and 240: Professor Kenneth Eisenthal Columbi
Page 241: Dr. Ireneusz Janik Notre Dame Radia
Page 245: Dr. James Wishart Brookhaven Nation
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Eighth Condensed Phase and Interfacial Molecular Science (CPIMS)

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