TECHNICAL PROGRAM - American Chemical Society Publications

PHYS TECHNICAL PROGRAM
531. Comparison of the intermolecular dynamics
of confined and low-temperature
bulk benzene. K. M. Manfred,X.He,
J. T. Fourkas
532. Collisional deactivation of the
Ne(2p 5 3p) levels by He. M. H. Kabir,
K. Freel, M. C. Heaven
533. Spectroscopic and ab initio studies of
intramolecular pi-type hydrogen bonding
in 3-cyclopenten-1-ol, 2-cyclopentene-1amine,
and 2-hydroxytetralin.
E. J. Ocola, H. Shin, A. A. Al-Saadi,
J. Laane
534. Terahertz spectroscopy and solid-state
density functional theory of oxidizers
used in improvised explosives.
E. M. Witko, T. M. Korter
535. Modification of the luminescent properties
of rare-earth ions through plasmonic
nanoparticles. J. Seo,M.Rigo
536. Room-temperature study of hydrogen
adsorption on carbon-based nanomaterials
using diffuse reflectance infrared
spectroscopy. J. R. Rocha,D.Zhao,
J. B. Bult, C. Engtrakul, K. J. O’Neill,
J. Barker, H. Zhou, L. J. Simpson,
M. J. Heben, J. L. Blackburn
537. Femtosecond laser spectroscopic studies
of the interface of CdTe/CdSe coreshell
nanocrystals. C. Chuang,C.Burda
538. Manipulating quantum coherence in
room temperature liquids to image
through scattering media. N. Yang,
A. Cohen
539. Anomalous increase in the stability of
human serum albumin upon temperature
cycling. B. L. McClain, K. Nguyen,
A. Austin, M. Schrader
540. Development of an infrared mass spectrometer
instrument based on an electrospray
ion source and a cryogenically
cooled ion trap. M. Z. Kamrath,
C. Leavitt, R. Relph, M. Johnson
Boston Convention & Exhibition Center
Hall C
Physical Chemistry Poster Session
M. Johnson, Organizer
6:00–9:00
541. X-ray photoelectron spectroscopy
(XPS) studies of proton transfer in molecular
crystals. J. S. Stevens, S. J. Byard,
S. L. Schroeder
542. Structure of cell membranes revealed
by in situ atomic force microscope.
H. Wang, M. Cai, W. Zhao, X. Hao,
Y. Shan, X. Shang, J. Jiang
543. Kinetic study on chemical oxidative polymerization
of aniline in HCl /NaCl using
hydrogen peroxide. S. Agnihotra,
S. P. Surwade, S. K. Manohar
544. Investigation of molecular rotational activation
energies in room temperature
ionic liquids using 14 N NMR spectroscopy.
T. M. Alam, D. Dreyer,
C. Bielawski, R. Ruoff
545. Computational and spectroscopic investigations
of reversible furan-maleimide
cycloadditions: Parent reaction and derivatized
analogs. R. C. Boutelle,
B. H. Northrop
546. Free energy of association of two and
three �-peptide molecules. J. Mondal,
X. Zhu, Q. Cui, A. Yethiraj
547. Adsorption and dissociation of NH 3 on
clean and hydroxylated TiO 2 rutile (110)
surfaces: A computational study.
J. Chang, H. Chen, J. Lu, S. Ju
548. Association kinetics of polar and nonpolar
protofilaments. G. Reddy
549. Withdrawn
550. Computational design of fluorescent
BINOL-based receptors. J. S. Mancini,
C. Parish
551. Molecular dynamics investigation of
Kinesin cargo-binding domain. S. Fisher,
C. Parish
‡ Cooperative Cosponsorship
108–TECH
552. Vapor-liquid equilibria of copper using
hybrid Monte Carlo Wang-Landau simulations.
T. Aleksandrov, E. A. Kastl,
C. Desgranges, J. Delhommelle
553. Nascent IR probing of HCl (v�0, J) from
collisions with highly excited pyrazine:
Isotope effects in J-changing collisions.
M. D. Smarte, N. A. Sassin,
G. O. Echebiri, A. S. Mullin
554. Structural and dynamic properties of a
revised OSS2 model for water. S. H. Lee,
J. C. Rasaiah
555. Replica exchange Monte Carlo simulations
of derivatized fullerenes on Au(111).
G. Bubnis, H. Mayne
556. Role of structural anisotropies on model
poly-3-methyl thiophene (P3MT) films
and their electrical properties. R. J. Patel,
M. A. Hickner
557. High-resolution infrared spectroscopy
in the O-D stretching region of doublydeuterated
hydronium ion, HD 2O � .
M. A. Roberts, E. N. Sharp-Williams,
D. J. Nesbitt
558. Effect of the shear on the percolation
network and the electric conductivity of
carbon networks/polymer composites:
Monte Carlo simulation study. B. Sung,
G. Kwon
559. Utilization of novel Gemini surfuctantmontmorilonite
clay complexes in
triphase catalysis. N. Shabestary,
D. Rensing
560. Interfacial charge/discharge and ion
transport dynamics on nanoporous carbon
supercapacitors. J. Guo,
S. M. Mahurin, S. Dai, G. M. Brown,
R. W. Shaw
561. Depletion effect on polymers induced
by small depleting particles. J. Kim,
I. Szleifer
562. Flux effect on the melting and wetting of
solder nanowires and nanorods. F. Gao,
K. Rajathurai, Q. Cui, I. Nkengfor-Acha,
Z. Gu
563. Synthesis of lead-free solder nanoparticles
and their application as nano-inks
and nano-pastes. Q. Cui, K. Rajathurai,
F. Gao, Z. Gu
564. Genome sequencing by natural DNA
synthesis. E. E. Roller, K. Ko, Z. Liu,
M. Walsh, X. Huang
565. Impact of nuclear quantum effects on
the liquid-glass transition.
T. E. Markland, J. A. Morrone,
K. Miyazaki, E. Rabani, D. R. Reichman,
B. J. Berne
566. Withdrawn
567. Degeneration of singlet and triplet excited
states in luminescent gold nanoparticles.
C. Zhou, M. Yu, Y. Qin, J. Zheng
568. Advancing the use of the linear solvation
parameter model for organosilicon
compounds for the prediction of physical
properties relevant to their environmental
fate. J. L. Mosey, G. Kozerski
569. Enhanced difluoroboron dibenzoylmethane
derivatives: Photophysics and
applications. R. E. Evans, T. Liu,
G. Zhang, C. Fraser
570. Two-photon absorbing GFP-type chromophores:
Synthetic design and spectroscopic
characterization. T. B. Clark,
T. Goodson III
571. Role of energy threshold played in
MALDI: Studies from the corresponding
measurements of Gly-Gly-His, Glu-Val-
Phe and three matrices. B. Chen,
C. Liang, Y. Lee
572. Synthesis of InP nanocrystal quantum
dots using silylphosphine derivatives as
the phosphorus precursor: Optical and
structural chracterizations. S. Joung,
Y.Moon,Y.Kim,C.Han,S.Jeong
573. Fibonacci code for genetic and epigenetic
dynamics. D. Gurel, O. Gurel
574. Aggregation dynamics of sphericallysymmetric
reactive colloidal particles under
shear stresses. M. C. Hagy,
S. J. Fitzwater, T. H. Pierce, M. Schure,
A. V. Popov, R. Hernandez
575. Computational study of the behavior of
ionic liquids confined inside multi-walled
carbon nanotubes. R. Singh, J. D. Monk,
F. R. Hung
576. Quantum chemical computations of
H/D deuterium isotope effects on 1H and
13C NMR chemical shifts. K. S. Yang,
B. S. Hudson
577. Non-Born-Oppenheimer spectroscopy:
Direct exploration of conical intersections.
K. A. Fransted, J. R. Caram,
G. B. Griffin, G. S. Engel
578. Infrared and computational studies of
vibrations of molecules adsorbed on single-walled
carbon nanotubes. M. Ellison
579. Investigation of the primary photodissociation
channels of chloroacetone at
193nm. B. W. Alligood, B. FitzPatrick,
L. J. Butler, D. Szpunar
580. Use of Cy3 labeled DNA to determine
the transcription rate of single T7 RNAP
molecules. D. R. Nicholas,M.L.Norton,
W. P. Kunin
581. XYG4-OS: An accurate and fast fifthrung
density functional method. I. Zhang,
X. Xu, Y. Jung, W. A. Goddard, III
582. Microscopic rotor driven by the energy
stored in braided DNA molecules.
M. Fernández-Sierra, V. Delgado-Martí,
E. Quiñones
583. Seven polymorphs of human carbonic
anhydrase II exhibit the same packing
motif. R. L. Kwant, P. W. Snyder,
E. T. Mack, D. T. Moustakas, M. J. Butte,
G. M. Whitesides
584. Study of emission of gold and silver
nanoclusters by ultrafast spectroscopy.
S. Yau
585. Modeling photoexcited reactions of
simple molecules in solution. J. Zhang,
D. Coker
586. Molecular modeling studies for thermal
and chemical stabilities of Coprinus cinereus
peroxidase (CiP) mutants. J. Lee,
R. Chang, Y. Kim
587. Structural dynamics of 1,3-Cyclohexadiene
upon electrocyclic ring opening.
C. C. Buehler, P. M. Weber, M. P. Minitti,
S. Deb, J. Bao
588. Low energy, Co � -mediated decomposition
kinetics of acetone into Co � CO �
ethane. O. J. Villarroel, I. E. Laboren,
D. J. Bellert
589. One student’s experience in the ACS
nuclear chemistry summer school program.
S. McCarthy
590. New insights into ligand effects during
quantum dot nucleation and growth.
C. R. Hine,A.Roy,M.M.Maye
591. Photophysical properties of alkylamino
substituted aryl- and diarylidene cyclopentanones.
C. A. Zoto,R.E.Connors
592. Semifluorinated polymer brushes by
surface-initiated atom transfer radical polymerization
(SI-ATRP) on layer-by-layer
macroinitiator modified substrates.
N. C. Estillore, R. C. Advincula
593. Cocrystals of sulfoxides and thioamides.
A. E. Lindeman, C. Elcoate,
S. Lawrence
594. Molecular wire attachment to singlewalled
carbon nanotubes. A. Rimshaw
595. Plasmon-enhanced photoluminescence
of self-assembled CdSe quantum dots.
M. Rigo,J.Seo
596. Elucidation of the role of the central,
flexible region of IAPP in amyloid formation.
G. Liu, S. Sparks, N. D. Lazo
597. Model study of adlayer pattern formation
on hexagonal and square substrates.
G. Berezutskiy, L. Lawrence-Hurt,
G. Bubnis, H. Mayne
598. Negative ion photoelectron spectra of
six-membered nitrogen-containing heterocycles.
S. W. Wren, K. M. Vogelhuber,
L. Sheps, S. Kato, V. M. Bierbaum,
W. C. Lineberger
599. Withdrawn
600. Dynamics at the air/deuterated water
interface: Theory and experiment.
I. V. Stiopkin, C. Weeraman,
P. A. Peiniazek, J. L. Skinner,
A. V. Benderskii
601. Electrochemical properties of ruthenium
sandwich complexes. I. Chacon
602. Patterned polymer brushes on indium
titanium oxide surface using RAFT and
ATRP techniques. M. R. Tria,
R. C. Advincula
603. Conductivity and component diffusion
study of a solid lithium polymer electrolyte
based on the polymer blend of PEG
and PMMA doped with LiTFSI. Y. Meng,
L. J. Smith
604. Primary isotope effect in oxazine dyes:
Fluorescent lifetime study. X. Song,
S. Chen
605. Site selectivity in the growth of copper
islands on Au (111). F. Grillo,
S. M. Francis, N. V. Richardson
606. Computational design of a new type of
Co-Por carbene catalyst involved in the
asymmetric cyclopropanation of alkenes.
C. R. Cioce, J. L. Belof, P. X. Zhang,
B. Space, H. L. Woodcock
607. Electrochemical characterization of biomimetic
bilayers: Insights into drug-membrane
interactions. N. Jarenwattananon,
B. D. Lahiji, M. D. Sykes, M. C. Buzzeo
608. Novel techniques in multiple time scale
molecular dynamics. J. A. Morrone,
T. E. Markland, R. Zhou, B. J. Berne
609. Vibrational spectroscopy of ice Ih, theory
and interpretation. F. li,J.L.Skinner
610. Detection of nitric oxide in vivo using
single-walled carbon nanotube near-infrared
photoluminescence. M. Shandell
611. Velocity-map imaging of scattered molecular
flux: Correlating quantum-state
and translational distributions.
J. Roscioli, D. Bell, D. Nesbitt
612. Conformational control of ubiquitination
in the cullin-RING E3 ligase machinery: A
molecular dynamics study. J. Liu,
R. Nussinov
613. Solid state electrochemistry of Ag(I),
Cu(II) and Au(I) nanofibers: Towards
“nano-electrochemical welding”.
G. R. Bourret, T. D. Lazzara,
T. G. van de Ven, R. B. Lennox
614. Vibrational predissociation spectra in
the shared proton region of protonated
formic acid wires. H. K. Gerardi,
C. M. Leavitt, M. A. Johnson
615. Study of the solid-liquid equilibrium of
succinic acid in different solvents and
modeling using NRTL equation.
A. Orjuela, A. Yanez, D. Miller, C. Lira
616. Chemical kinetics of the photochromic
and thermochromic conversion of spiropyran
into merocyanine. T. Buthelezi,
K. K. Smith, O. Grover
Boston Convention & Exhibition Center
Hall C
Recent Advances in Ion Mobility for
Analysis and Characterization of
Macromolecules
E. Baker, M. Johnson, M. Bowers,
Organizers
6:00–9:00
617. Long distance influences of targets in
the Belousov-Zhabotinsky Reaction.
S. B. Minchenberg, K. D. Zauderer,
H. M. Hastings, S. G. Sobel
618. Complex band perspective of defect
states in conducting polymers. Q. Lu,
M. Li, X. Lin
619. Interfacial properties and confinement
effects of aqueous electrolytes in microporous
carbon. M. C. Wander,
K. L. Shuford
620. PEGylated and electropolymerizable
linear dendron macromolecules: Stability
and molecular conformation at the airwater
interface. M. L. Felipe, N. Estillore,
R. Advincula
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