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Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine

Luiz Guilherme M. de Macedo; Wibe A. de Jong

J. Chem. Phys. 128, 041101 (2008) https://doi.org/10.1063/1.2827457

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Resonant dissociative electron transfer of the presolvated electron to $C {Cl}_{4}$ in liquid: Direct observation and lifetime of the $C {Cl}_{4}^{*^{-}}$ transition state

C.-R. Wang; K. Drew; T. Luo; M.-J. Lu; Q.-B. Lu

J. Chem. Phys. 128, 041102 (2008) https://doi.org/10.1063/1.2836749

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Enhancement of the transverse conductance in DNA nucleotides

Vincent Meunier; Predrag S. Krstić

J. Chem. Phys. 128, 041103 (2008) https://doi.org/10.1063/1.2835350

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Solvent migration from the C- to the N-terminus of amino acid in photoionization of phenylglycine-water complex

Hyung Min Kim; Kyu Young Han; Juyeon Park; Gap-Sue Kim; Seong Keun Kim

J. Chem. Phys. 128, 041104 (2008) https://doi.org/10.1063/1.2835351

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ARTICLES

Theoretical Methods and Algorithms

Hartree-Fock complete basis set limit properties for transition metal diatomics

T. Gavin Williams; Nathan J. DeYonker; Angela K. Wilson

J. Chem. Phys. 128, 044101 (2008) https://doi.org/10.1063/1.2822907

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Study on the maximum accuracy of the pseudopotential density functional method with localized atomic orbitals versus plane-wave basis sets

Michele Gusso

J. Chem. Phys. 128, 044102 (2008) https://doi.org/10.1063/1.2821023

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On the mapping of time-dependent densities onto potentials in quantum mechanics

Roi Baer

J. Chem. Phys. 128, 044103 (2008) https://doi.org/10.1063/1.2822124

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Auxiliary basis sets for density fitting–MP2 calculations: Nonrelativistic triple- $ζ$ all-electron correlation consistent basis sets for the $3 d$ elements Sc–Zn

J. Grant Hill; James A. Platts

J. Chem. Phys. 128, 044104 (2008) https://doi.org/10.1063/1.2826348

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Local-density approximation for orbital densities applied to the self-interaction correction

Naoto Umezawa

J. Chem. Phys. 128, 044105 (2008) https://doi.org/10.1063/1.2822113

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Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method

Ilja V. Khavrutskii; Joachim Dzubiella; J. Andrew McCammon

J. Chem. Phys. 128, 044106 (2008) https://doi.org/10.1063/1.2825620

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Dynamical dimer method for the determination of transition states with ab initio molecular dynamics

Alexander Poddey; Peter E. Blöchl

J. Chem. Phys. 128, 044107 (2008) https://doi.org/10.1063/1.2826338

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A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects

Jingjing Zheng; Jeffrey R. Gour; Jesse J. Lutz; Marta Włoch; Piotr Piecuch; Donald G. Truhlar

J. Chem. Phys. 128, 044108 (2008) https://doi.org/10.1063/1.2825596

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The method of Gaussian weighted trajectories. III. An adiabaticity correction proposal

L. Bonnet

J. Chem. Phys. 128, 044109 (2008) https://doi.org/10.1063/1.2827134

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Improving upon CCSD(T): $Λ CCSD (T)$ ⁠. I. Potential energy surfaces

Andrew G. Taube; Rodney J. Bartlett

J. Chem. Phys. 128, 044110 (2008) https://doi.org/10.1063/1.2830236

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Improving upon CCSD(T): $Λ CCSD (T)$ ⁠. II. Stationary formulation and derivatives

Andrew G. Taube; Rodney J. Bartlett

J. Chem. Phys. 128, 044111 (2008) https://doi.org/10.1063/1.2830237

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Quantum control mechanism analysis through field based Hamiltonian encoding: A laboratory implementable algorithm

Abhra Mitra; Herschel Rabitz

J. Chem. Phys. 128, 044112 (2008) https://doi.org/10.1063/1.2820787

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An algorithm for mass matrix calculation of internally constrained molecular geometries

Masoud Aryanpour; Abhishek Dhanda; Heinz Pitsch

J. Chem. Phys. 128, 044113 (2008) https://doi.org/10.1063/1.2827489

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Topological analysis of electron densities from Kohn-Sham and subsystem density functional theory

Karin Kiewisch; Georg Eickerling; Markus Reiher; Johannes Neugebauer

J. Chem. Phys. 128, 044114 (2008) https://doi.org/10.1063/1.2822966

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A momentum-conserving Franck-Condon approximation: Theory and application to the photodissociation of ${Li}_{2}^{+}$ in an intense laser field

Patrick Nichols; Mark R. Hoffmann

J. Chem. Phys. 128, 044115 (2008) https://doi.org/10.1063/1.2821100

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Time propagation of constrained coupled Gaussian wave packets

Tomaž Fabčič; Jörg Main; Günter Wunner

J. Chem. Phys. 128, 044116 (2008) https://doi.org/10.1063/1.2821751

Abstract

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Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules

M. B. Ferraro; M. C. Caputo; G. I. Pagola; P. Lazzeretti

J. Chem. Phys. 128, 044117 (2008) https://doi.org/10.1063/1.2826342

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Excitation energies in density functional theory: An evaluation and a diagnostic test

Michael J. G. Peach; Peter Benfield; Trygve Helgaker; David J. Tozer

J. Chem. Phys. 128, 044118 (2008) https://doi.org/10.1063/1.2831900

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A method to reduce the size of the vibronic basis employed in the simulation of spectra using the multimode vibronic coupling approximation

Michael S. Schuurman; David R. Yarkony

J. Chem. Phys. 128, 044119 (2008) https://doi.org/10.1063/1.2826380

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Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry

Charge-transfer photodissociation of adsorbed molecules via electron image states

E. T. Jensen

J. Chem. Phys. 128, 044301 (2008) https://doi.org/10.1063/1.2822331

Abstract

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The umbrella motion of core-excited $C H_{3}$ and $C D_{3}$ methyl radicals

U. Ekström; V. Carravetta; M. Alagia; M. Lavollée; R. Richter; C. Bolcato; S. Stranges

J. Chem. Phys. 128, 044302 (2008) https://doi.org/10.1063/1.2822246

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The electron photodetachment spectrum of $c - C_{4} F_{8}^{-}$ ⁠: A test case for the computation of Franck-Condon factors of highly flexible molecules

Raffaele Borrelli; Andrea Peluso

J. Chem. Phys. 128, 044303 (2008) https://doi.org/10.1063/1.2819061

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A new ab initio ground-state dipole moment surface for the water molecule

Lorenzo Lodi; Roman N. Tolchenov; Jonathan Tennyson; A. E. Lynas-Gray; Sergei V. Shirin; Nikolai F. Zobov; Oleg L. Polyansky; Attila G. Császár; Joost N. P. van Stralen; Lucas Visscher

J. Chem. Phys. 128, 044304 (2008) https://doi.org/10.1063/1.2817606

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High-resolution infrared spectroscopy of jet-cooled vinyl radical: Symmetric $C H_{2}$ stretch excitation and tunneling dynamics

Feng Dong; Melanie Roberts; David J. Nesbitt

J. Chem. Phys. 128, 044305 (2008) https://doi.org/10.1063/1.2816704

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Reaction of carbon monoxide and hydrogen on neutral ${Nb}_{8}$ clusters in the gas phase

Y. Xie; S.-G. He; F. Dong; E. R. Bernstein

J. Chem. Phys. 128, 044306 (2008) https://doi.org/10.1063/1.2813348

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Critical conditions for stable dipole-bound dianions

Alejandro Ferrón; Pablo Serra; Sabre Kais

J. Chem. Phys. 128, 044307 (2008) https://doi.org/10.1063/1.2822285

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Infrared spectra of $C O_{2}$ -doped ${}^{4}{He}$ clusters, ${}^{4}{He}_{N} - C O_{2}$ ⁠, with $N = 1 - 60$

A. R. W. McKellar

J. Chem. Phys. 128, 044308 (2008) https://doi.org/10.1063/1.2822903

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Ab initio potential energy surface and bound states of the Xe–CO complex

Zhongquan Wang; Mingyan Gong; Yu Zhang; Eryin Feng; Zhifeng Cui

J. Chem. Phys. 128, 044309 (2008) https://doi.org/10.1063/1.2823029

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$K$ selection in one-photon mass-analyzed threshold ionization of $C H_{3} I$ and $C D_{3} I$ to the $\tilde{X} {}^{2}E_{3 ∕ 2}$ state cations

Mina Lee; Yong Jin Bae; Myung Soo Kim

J. Chem. Phys. 128, 044310 (2008) https://doi.org/10.1063/1.2823032

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Dissociative recombination of water cluster ions with free electrons: Cross sections and branching ratios

J. Öjekull; P. U. Andersson; J. B. C. Pettersson; N. Marković; R. D. Thomas; A. Al Khalili; A. Ehlerding; F. Österdahl; M. af Ugglas; M. Larsson; H. Danared; A. Källberg

J. Chem. Phys. 128, 044311 (2008) https://doi.org/10.1063/1.2823062

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Potential energy surface of HDO up to $25 000 {cm}^{- 1}$

S. N. Yurchenko; B. A. Voronin; R. N. Tolchenov; N. Doss; O. V. Naumenko; W. Thiel; Jonathan Tennyson

J. Chem. Phys. 128, 044312 (2008) https://doi.org/10.1063/1.2806165

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The structure and binding energies of the van der Waals complexes of Ar and $N_{2}$ with phenol and its cation, studied by high level ab initio and density functional theory calculations

Mark A. Vincent; Ian H. Hillier; Claudio A. Morgado; Neil A. Burton; Xiao Shan

J. Chem. Phys. 128, 044313 (2008) https://doi.org/10.1063/1.2828369

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Photoelectron spectroscopy of the parent anions of the nucleotides, adenosine- $5^{'}$ -monophosphate and $2^{'}$ deoxyadenosine- $5^{'}$ -monophosphate

Sarah T. Stokes; Andrej Grubisic; Xiang Li; Yeon Jae Ko; Kit H. Bowen

J. Chem. Phys. 128, 044314 (2008) https://doi.org/10.1063/1.2823001

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Barrier-free proton transfer in the valence anion of $2^{'}$ -deoxyadenosine- $5^{'}$ -monophosphate. II. A computational study

Monika Kobyłecka; Jiande Gu; Janusz Rak; Jerzy Leszczynski

J. Chem. Phys. 128, 044315 (2008) https://doi.org/10.1063/1.2823002

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The C $1 s$ and N $1 s$ near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase

G. Vall-llosera; B. Gao; A. Kivimäki; M. Coreno; J. Álvarez Ruiz; M. de Simone; H. Ågren; E. Rachlew

J. Chem. Phys. 128, 044316 (2008) https://doi.org/10.1063/1.2822985

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Size dependent fragmentation of argon clusters in the soft x-ray ionization regime

Mathieu Gisselbrecht; Andreas Lindgren; Florian Burmeister; Maxim Tchaplyguine; Gunnar Öhrwall; Magnus Lundin; Arnaldo Naves de Brito; Svante Svensson; Olle Björneholm; Stacey L. Sorensen

J. Chem. Phys. 128, 044317 (2008) https://doi.org/10.1063/1.2821748

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Theoretical investigation of $C_{56}$ fullerene isomers and related compounds

De-Li Chen; Wei Quan Tian; Ji-Kang Feng; Chia-Chung Sun

J. Chem. Phys. 128, 044318 (2008) https://doi.org/10.1063/1.2821022

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Kinetic energy operators in linearized internal coordinates

Janne Pesonen

J. Chem. Phys. 128, 044319 (2008) https://doi.org/10.1063/1.2829496

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Threshold photoelectron spectroscopy on inner-valence ionic states of NO

Y. Hikosaka; T. Aoto; K. Ito; Y. Terasaka; R. Hirayama; E. Miyoshi

J. Chem. Phys. 128, 044320 (2008) https://doi.org/10.1063/1.2827463

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Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation

The structure of aqueous sodium hydroxide solutions: A combined solution x-ray diffraction and simulation study

Tünde Megyes; Szabolcs Bálint; Tamás Grósz; Tamás Radnai; Imre Bakó; Pál Sipos

J. Chem. Phys. 128, 044501 (2008) https://doi.org/10.1063/1.2821956

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Uncovering the physical origin of the difference between aliphatic chain and aromatic ring in the “hydrophobic” effects on partial molar volume

Takashi Imai; Yu Hisadomi; Seiji Sawamura; Yoshihiro Taniguchi

J. Chem. Phys. 128, 044502 (2008) https://doi.org/10.1063/1.2828768

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Theory for an order-driven disruption of the liquid state in water

Jeremy L. England; Sanghyun Park; Vijay S. Pande

J. Chem. Phys. 128, 044503 (2008) https://doi.org/10.1063/1.2823129

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Contribution of inter- and intramolecular energy transfers to heat conduction in liquids

Daichi Torii; Takeo Nakano; Taku Ohara

J. Chem. Phys. 128, 044504 (2008) https://doi.org/10.1063/1.2821963

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Exchange narrowing of the $J$ band of molecular dye aggregates

P. B. Walczak; A. Eisfeld; J. S. Briggs

J. Chem. Phys. 128, 044505 (2008) https://doi.org/10.1063/1.2823730

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Computer simulation of charged hard spherocylinders

Carlos Avendaño; Alejandro Gil-Villegas; Enrique González-Tovar

J. Chem. Phys. 128, 044506 (2008) https://doi.org/10.1063/1.2823736

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A quantum equation of motion for chemical reaction systems on an adiabatic double-well potential surface in solution based on the framework of mixed quantum-classical molecular dynamics

Atsushi Yamada; Susumu Okazaki

J. Chem. Phys. 128, 044507 (2008) https://doi.org/10.1063/1.2825611

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2-methylterrylene in hexadecane: Do we see single rotational quantum jumps of methyl groups?

A. Sigl; Chr. Scharnagl; J. Friedrich; A. Gourdon; M. Orrit

J. Chem. Phys. 128, 044508 (2008) https://doi.org/10.1063/1.2827461

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Vibrational dynamics of ice in reverse micelles

Adriaan M. Dokter; Christian Petersen; Sander Woutersen; Huib J. Bakker

J. Chem. Phys. 128, 044509 (2008) https://doi.org/10.1063/1.2826376

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Water polyamorphism: Reversibility and (dis)continuity

Katrin Winkel; Michael S. Elsaesser; Erwin Mayer; Thomas Loerting

J. Chem. Phys. 128, 044510 (2008) https://doi.org/10.1063/1.2830029

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Correlation of ion dynamics and structure of superionic tellurite glasses

D. Dutta; A. Ghosh

J. Chem. Phys. 128, 044511 (2008) https://doi.org/10.1063/1.2828495

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Correlation between primary and secondary Johari–Goldstein relaxations in supercooled liquids: Invariance to changes in thermodynamic conditions

M. Mierzwa; S. Pawlus; M. Paluch; E. Kaminska; K. L. Ngai

J. Chem. Phys. 128, 044512 (2008) https://doi.org/10.1063/1.2828496

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Surfaces, Interfaces, and Materials

Mechanical properties of alkanethiol monolayers studied by force spectroscopy

Gerard Oncins; Carolina Vericat; Fausto Sanz

J. Chem. Phys. 128, 044701 (2008) https://doi.org/10.1063/1.2813434

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Phase behavior of a fluid confined in slitlike pores with walls modified by preadsorbed chain molecules

O. Pizio; M. Borówko; W. Rżysko; T. Staszewski; S. Sokołowski

J. Chem. Phys. 128, 044702 (2008) https://doi.org/10.1063/1.2829247

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Exciplex emission from electroluminescent ladder-type pentaphenylene oligomers bearing both electron- and hole-accepting substituents

Chris E. Finlayson; Ji-Seon Kim; Matthew J. Liddell; Richard H. Friend; Sung-Hyun Jung; Andrew C. Grimsdale; Klaus Müllen

J. Chem. Phys. 128, 044703 (2008) https://doi.org/10.1063/1.2813351

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First-principles study of length dependence of conductance in alkanedithiols

Y. X. Zhou; F. Jiang; H. Chen; R. Note; H. Mizuseki; Y. Kawazoe

J. Chem. Phys. 128, 044704 (2008) https://doi.org/10.1063/1.2827868

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Monte Carlo simulation of electrical double-layer formation from mixtures of electrolytes inside nanopores

Chia-Hung Hou; Patricia Taboada-Serrano; Sotira Yiacoumi; Costas Tsouris

J. Chem. Phys. 128, 044705 (2008) https://doi.org/10.1063/1.2824957

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Molecular anchor Cu–S formed on a thiophene mediated $Si (111) - (7 \times 7)$ surface

Y. P. Zhang; K. S. Yong; G. Q. Xu; X. Y. Gao; X. S. Wang; A. T. S. Wee

J. Chem. Phys. 128, 044706 (2008) https://doi.org/10.1063/1.2822149

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Theory of pair connectedness in templated quenched-annealed systems

Lev Sarkisov

J. Chem. Phys. 128, 044707 (2008) https://doi.org/10.1063/1.2823734

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Thin-thick surface phase coexistence and boundary tension of the square-well fluid on a weak attractive surface

Jayant K. Singh; Gautam Sarma; Sang K. Kwak

J. Chem. Phys. 128, 044708 (2008) https://doi.org/10.1063/1.2824503

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On the angular dependence of the optical polarization anisotropy in ladder-type polymers

Helen L. Vaughan; Andrew P. Monkman; Lars-Olof Pålsson; Benjamin S. Nehls; Tony Farrell; Ullrich Scherf

J. Chem. Phys. 128, 044709 (2008) https://doi.org/10.1063/1.2822273

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Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide $Fe {Cr}_{2} S_{4}$

Leonardo Lo Presti; Riccardo Destro

J. Chem. Phys. 128, 044710 (2008) https://doi.org/10.1063/1.2822160

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First-principles investigation of the asymmetric contact effect on current-voltage characteristics of a molecular device

Z. Zhang; Z. Yang; J. Yuan; M. Qiu

J. Chem. Phys. 128, 044711 (2008) https://doi.org/10.1063/1.2814247

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Metal-nonmetal transition in dense fluid hydrogen

Tomonari Sumi; Hideo Sekino

J. Chem. Phys. 128, 044712 (2008) https://doi.org/10.1063/1.2824930

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On the prediction of the crystal and electronic structure of mixed-valence materials by periodic density functional calculations: The case of Prussian Blue

Jacek C. Wojdeł; Ibério de P. R. Moreira; Stefan T. Bromley; Francesc Illas

J. Chem. Phys. 128, 044713 (2008) https://doi.org/10.1063/1.2824966

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Enhanced adsorption energy of ${Au}_{1}$ and $O_{2}$ on the stoichiometric $Ti O_{2} (110)$ surface by coadsorption with other molecules

Steeve Chrétien; Horia Metiu

J. Chem. Phys. 128, 044714 (2008) https://doi.org/10.1063/1.2829405

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Electrokinetic boundary condition compatible with the Onsager reciprocal relation in the thin double layer approximation

Masao Doi; Masato Makino

J. Chem. Phys. 128, 044715 (2008) https://doi.org/10.1063/1.2827869

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New concept of solute distribution around a diffusive crystal-solution interface of a binary Lennard-Jones mixture from the viewpoint of molecular dynamics

Kouji Maeda; Yusuke Asakuma; Keisuke Fukui

J. Chem. Phys. 128, 044716 (2008) https://doi.org/10.1063/1.2825601

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MPSA effects on copper electrodeposition investigated by molecular dynamics simulations

Clint G. Guymon; John N. Harb; Richard L. Rowley; Dean R. Wheeler

J. Chem. Phys. 128, 044717 (2008) https://doi.org/10.1063/1.2824928

Abstract

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Size dependence of structural, electronic, elastic, and optical properties of selenium nanowires: A first-principles study

Mousumi Upadhyay Kahaly; Prasenjit Ghosh; Shobhana Narasimhan; Umesh V. Waghmare

J. Chem. Phys. 128, 044718 (2008) https://doi.org/10.1063/1.2824969

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Effect of molecular structure on wetting behavior of $water + amphiphile$ mixtures: A density functional approach

Ming-Chih Yeh; Chia-Ming Chen; Li-Jen Chen

J. Chem. Phys. 128, 044719 (2008) https://doi.org/10.1063/1.2832323

Abstract

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Polymers and Complex Systems

Broadband dielectric investigation on poly(vinyl pyrrolidone) and its water mixtures

Silvina Cerveny; Ángel Alegría; Juan Colmenero

J. Chem. Phys. 128, 044901 (2008) https://doi.org/10.1063/1.2822332

Abstract

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Viscoelasticity and primitive path analysis of entangled polymer liquids: From F-actin to polyethylene

Nariya Uchida; Gary S. Grest; Ralf Everaers

J. Chem. Phys. 128, 044902 (2008) https://doi.org/10.1063/1.2825597

Abstract

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Polymer chain dynamics at interfaces: Role of boundary conditions at solid interface

Tapan G. Desai; Pawel Keblinski; Sanat K. Kumar

J. Chem. Phys. 128, 044903 (2008) https://doi.org/10.1063/1.2825293

Abstract

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Delay-induced inward and outward spiral waves in oscillatory medium

Hai Xiang Hu; Lin Ji; Qian Shu Li

J. Chem. Phys. 128, 044904 (2008) https://doi.org/10.1063/1.2821964

Abstract

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A multiscale model for kinetics of formation and disintegration of spherical micelles

Gunjan Mohan; Dmitry I. Kopelevich

J. Chem. Phys. 128, 044905 (2008) https://doi.org/10.1063/1.2823729

Abstract

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A new anisotropic soft-core model for the simulation of liquid crystal mesophases

Juho S. Lintuvuori; Mark R. Wilson

J. Chem. Phys. 128, 044906 (2008) https://doi.org/10.1063/1.2825292

Abstract

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Phase separations in liquid crystal-colloid mixtures

Akihiko Matsuyama; Ryota Hirashima

J. Chem. Phys. 128, 044907 (2008) https://doi.org/10.1063/1.2823737

Abstract

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Local dielectric spectroscopy of near-surface glassy polymer dynamics

P. S. Crider; M. R. Majewski; Jingyun Zhang; H. Oukris; N. E. Israeloff

J. Chem. Phys. 128, 044908 (2008) https://doi.org/10.1063/1.2825301

Abstract

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Phase behavior of colloidal hard perfect tetragonal parallelepipeds

Bettina S. John; Carol Juhlin; Fernando A. Escobedo

J. Chem. Phys. 128, 044909 (2008) https://doi.org/10.1063/1.2819091

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Depletion potentials in colloidal mixtures of hard spheres and rods

Weihua Li; Tao Yang; Hong-ru Ma

J. Chem. Phys. 128, 044910 (2008) https://doi.org/10.1063/1.2820785

Abstract

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Revisiting random walks in fractal media: On the occurrence of time discrete scale invariance

M. A. Bab; G. Fabricius; Ezequiel V. Albano

J. Chem. Phys. 128, 044911 (2008) https://doi.org/10.1063/1.2823732

Abstract

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The critical adsorption point of self-avoiding walks: A finite-size scaling approach

Meng-Bo Luo

J. Chem. Phys. 128, 044912 (2008) https://doi.org/10.1063/1.2826372

Abstract

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Collision efficiency factor for heteroaggregation: Extension to soft interactions

Aaron Olsen; George Franks; Simon Biggs; Graeme J. Jameson

J. Chem. Phys. 128, 044913 (2008) https://doi.org/10.1063/1.2776263

Abstract

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Propagators and related descriptors for non-Markovian asymmetric random walks with and without boundaries

Alexander M. Berezhkovskii; George H. Weiss

J. Chem. Phys. 128, 044914 (2008) https://doi.org/10.1063/1.2830254

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Biological Molecules, Biopolymers, and Biological Systems

The complex folding pathways of protein A suggest a multiple-funnelled energy landscape

Jean-Francois St-Pierre; Normand Mousseau; Philippe Derreumaux

J. Chem. Phys. 128, 045101 (2008) https://doi.org/10.1063/1.2812562

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Supplementary Material

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Quasihomogeneous nucleation of amyloid beta yields numerical bounds for the critical radius, the surface tension, and the free energy barrier for nucleus formation

K. Garai; B. Sahoo; P. Sengupta; S. Maiti

J. Chem. Phys. 128, 045102 (2008) https://doi.org/10.1063/1.2822322

Abstract

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New force replica exchange method and protein folding pathways probed by force-clamp technique

Maksim Kouza; Chin-Kun Hu; Mai Suan Li

J. Chem. Phys. 128, 045103 (2008) https://doi.org/10.1063/1.2822272

Abstract

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Conformations of poly{G}–poly{C} $π$ stacks with high hole mobility

Alexander A. Voityuk

J. Chem. Phys. 128, 045104 (2008) https://doi.org/10.1063/1.2823015

Abstract

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Eliminating fast reactions in stochastic simulations of biochemical networks: A bistable genetic switch

Marco J. Morelli; Rosalind J. Allen; Sorin Tănase-Nicola; Pieter Rein ten Wolde

J. Chem. Phys. 128, 045105 (2008) https://doi.org/10.1063/1.2821957

Abstract

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Lattice model simulation of interchain protein interactions and the folding dynamics and dimerization of the GCN4 Leucine zipper

Yanxin Liu; Prem P. Chapagain; Jose L. Parra; Bernard S. Gerstman

J. Chem. Phys. 128, 045106 (2008) https://doi.org/10.1063/1.2831513

Abstract

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LETTERS TO THE EDITOR

Errata

Erratum: Investigation of the photochemistry of the poly { $p$ -phenylenevinylene} precursor system: Implications for nanolithography [J. Chem. Phys. 126, 174703 (2007)]

D. V. Cotton; C. J. Fell; W. J. Belcher; M. Tachiya; P. C. Dastoor

J. Chem. Phys. 128, 049901 (2008) https://doi.org/10.1063/1.2824927

Extract

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Issues

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Theoretical Methods and Algorithms

Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry

Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation

Surfaces, Interfaces, and Materials

Polymers and Complex Systems

Biological Molecules, Biopolymers, and Biological Systems

LETTERS TO THE EDITOR

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