Skip Nav Destination

Issues

Select Decade

Select Year

Issue

COMMUNICATIONS

Spectroscopic characterization of HOONO and its binding energy via infrared action spectroscopy

Ilana B. Pollack; Ian M. Konen; Eunice X. J. Li; Marsha I. Lester

J. Chem. Phys. 119, 9981–9984 (2003) https://doi.org/10.1063/1.1624246

Abstract

View articletitled, Spectroscopic characterization of HOONO and its binding energy via infrared action spectroscopy

Open the PDF for in another window

Dynamics of the gas–liquid interfacial reaction of $O (^{3} P)$ atoms with hydrocarbons

Hailey Kelso; Sven P. K. Köhler; David A. Henderson; Kenneth G. McKendrick

J. Chem. Phys. 119, 9985–9988 (2003) https://doi.org/10.1063/1.1624833

Abstract

View articletitled, Dynamics of the gas–liquid interfacial reaction of <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">O</mi><msup xmlns=""><mi>(</mi><mrow><mn>3</mn></mrow></msup><mi mathvariant="normal" xmlns="">P</mi><mi xmlns="">)</mi></math> atoms with hydrocarbons

Open the PDF for in another window

State-to-state photodissociation dynamics of OH radical via the $A^{2} Σ^{+}$ state: Fine-structure distributions of the $O (^{3} P_{J})$ product

Weidong Zhou; Yan Yuan; Jingsong Zhang

J. Chem. Phys. 119, 9989–9992 (2003) https://doi.org/10.1063/1.1624247

Abstract

View articletitled, State-to-state photodissociation dynamics of OH radical via the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">A</mi><msup xmlns=""><mi> </mi><mrow><mn>2</mn></mrow></msup><msup xmlns=""><mi>Σ</mi><mrow><mi>+</mi></mrow></msup></math> state: Fine-structure distributions of the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">O</mi><msup xmlns=""><mi>(</mi><mrow><mn>3</mn></mrow></msup><msub xmlns=""><mi mathvariant="normal">P</mi><mrow><mi mathvariant="normal">J</mi></mrow></msub><mi xmlns="">)</mi></math> product

Open the PDF for in another window

ARTICLES

Theoretical Methods and Algorithms

Robust control of quantum information

Marco A. Pravia; Nicolas Boulant; Joseph Emerson; Amro Farid; Evan M. Fortunato; Timothy F. Havel; R. Martinez; David G. Cory

J. Chem. Phys. 119, 9993–10001 (2003) https://doi.org/10.1063/1.1619132

Abstract

View articletitled, Robust control of quantum information

Open the PDF for in another window

Interpolating moving least-squares methods for fitting potential energy surfaces: Detailed analysis of one-dimensional applications

Gia G. Maisuradze; Donald L. Thompson; Albert F. Wagner; Michael Minkoff

J. Chem. Phys. 119, 10002–10014 (2003) https://doi.org/10.1063/1.1617271

Abstract

View articletitled, Interpolating moving least-squares methods for fitting potential energy surfaces: Detailed analysis of one-dimensional applications

Open the PDF for in another window

Transcorrelated method for electronic systems coupled with variational Monte Carlo calculation

Naoto Umezawa; Shinji Tsuneyuki

J. Chem. Phys. 119, 10015–10031 (2003) https://doi.org/10.1063/1.1617274

Abstract

View articletitled, Transcorrelated method for electronic systems coupled with variational Monte Carlo calculation

Open the PDF for in another window

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

Time-resolved study of the symmetric $S_{N} 2$ -reaction $I^{-} + {CH}_{3} I$

Roland Wester; Arthur E. Bragg; Alison V. Davis; Daniel M. Neumark

J. Chem. Phys. 119, 10032–10039 (2003) https://doi.org/10.1063/1.1618220

Abstract

View articletitled, Time-resolved study of the symmetric <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi>S</mi><mrow><mi>N</mi></mrow></msub><mn xmlns="">2</mn></math>-reaction <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">I</mi><mrow><mi>−</mi></mrow></msup><mi xmlns="">+</mi><msub xmlns=""><mi mathvariant="normal">CH</mi><mrow><mn>3</mn></mrow></msub><mi mathvariant="normal" xmlns="">I</mi></math>

Open the PDF for in another window

Influence of collision energy on the $N (^{2} D)+ O_{2} \to O (^{3} P)+ NO$ reaction dynamics: A quasiclassical trajectory study involving four potential energy surfaces

Irene Miquel; Jordi Hernando; R. Sayós; Miguel González

J. Chem. Phys. 119, 10040–10047 (2003) https://doi.org/10.1063/1.1618221

Abstract

View articletitled, Influence of collision energy on the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">N</mi><msup xmlns=""><mi>(</mi><mrow><mn>2</mn></mrow></msup><mi xmlns="">D)+</mi><msub xmlns=""><mi mathvariant="normal">O</mi><mrow><mn>2</mn></mrow></msub><mi xmlns="">→</mi><mi mathvariant="normal" xmlns="">O</mi><msup xmlns=""><mi>(</mi><mrow><mn>3</mn></mrow></msup><mi xmlns="">P)+</mi><mi mathvariant="normal" xmlns="">NO</mi></math> reaction dynamics: A quasiclassical trajectory study involving four potential energy surfaces

Open the PDF for in another window

Zero temperature quantum properties of small protonated water clusters $(H_{2} O)_{n} H^{+}$ $(n=1–5)$

Massimo Mella; David C. Clary

J. Chem. Phys. 119, 10048–10062 (2003) https://doi.org/10.1063/1.1618222

Abstract

View articletitled, Zero temperature quantum properties of small protonated water clusters <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(</mi><msub xmlns=""><mi mathvariant="normal">H</mi><mrow><mn>2</mn></mrow></msub><mi mathvariant="normal" xmlns="">O</mi><msub xmlns=""><mi>)</mi><mrow><mi>n</mi></mrow></msub><msup xmlns=""><mi mathvariant="normal">H</mi><mrow><mi>+</mi></mrow></msup></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><mtext xmlns="">(n=1–5)</mtext></math>

Open the PDF for in another window

An ab initio investigation on the vertical electron detachment energies of semiconductor-alkali binary anions $E_{n} A^{-}$ $(A= K,$ $Na, Li; E= Ge, Si; n=1–10)$

Si-Dian Li; Guang-Ming Ren; Zhi-Hao Jin

J. Chem. Phys. 119, 10063–10068 (2003) https://doi.org/10.1063/1.1617972

Abstract

View articletitled, An ab initio investigation on the vertical electron detachment energies of semiconductor-alkali binary anions <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi>E</mi><mrow><mi>n</mi></mrow></msub><msup xmlns=""><mi>A</mi><mrow><mi>−</mi></mrow></msup></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(A=</mi><mi mathvariant="normal" xmlns="">K</mi><mi xmlns="">,</mi></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">Na</mi><mi xmlns="">, </mi><mi mathvariant="normal" xmlns="">Li</mi><mi xmlns="">; E=</mi><mi mathvariant="normal" xmlns="">Ge</mi><mi xmlns="">, </mi><mi mathvariant="normal" xmlns="">Si</mi><mtext xmlns="">; n=1–10)</mtext></math>

Open the PDF for in another window

Experimental evidence for the 7,7,8,8-tetracyano- $p$ -quinodimethane dianion in vacuo

Steen Brøndsted Nielsen; Mogens Brøndsted Nielsen

J. Chem. Phys. 119, 10069–10072 (2003) https://doi.org/10.1063/1.1618216

Abstract

View articletitled, Experimental evidence for the 7,7,8,8-tetracyano-<math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">p</mi></math>-quinodimethane dianion in vacuo

Open the PDF for in another window

Ab initio quantum chemical calculations for fullerene cages with large holes

Yun Hang Hu; Eli Ruckenstein

J. Chem. Phys. 119, 10073–10080 (2003) https://doi.org/10.1063/1.1617971

Abstract

View articletitled, Ab initio quantum chemical calculations for fullerene cages with large holes

Open the PDF for in another window

Ab initio calculation of interaction nature of borazine $(B_{3} N_{3} H_{6})$ dimer

Shun-ichi Kawahara; Seiji Tsuzuki; Tadafumi Uchimaru

J. Chem. Phys. 119, 10081–10087 (2003) https://doi.org/10.1063/1.1616914

Abstract

View articletitled, Ab initio calculation of interaction nature of borazine <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(</mi><msub xmlns=""><mi mathvariant="normal">B</mi><mrow><mn>3</mn></mrow></msub><msub xmlns=""><mi mathvariant="normal">N</mi><mrow><mn>3</mn></mrow></msub><msub xmlns=""><mi mathvariant="normal">H</mi><mrow><mn>6</mn></mrow></msub><mi xmlns="">)</mi></math> dimer

Open the PDF for in another window

Transition state spectroscopy of the excited electronic states of Li–HF

Alfredo Aguado; Miguel Paniagua; Cristina Sanz; Octavio Roncero

J. Chem. Phys. 119, 10088–10104 (2003) https://doi.org/10.1063/1.1618223

Abstract

View articletitled, Transition state spectroscopy of the excited electronic states of Li–HF

Supplementary Material

Open the PDF for in another window

Structural and thermochemical properties of the hydroxymethyl $({CH}_{2} OH)$ radical: A high precision ab initio study

Aleksandr V. Marenich; James E. Boggs

J. Chem. Phys. 119, 10105–10114 (2003) https://doi.org/10.1063/1.1618736

Abstract

View articletitled, Structural and thermochemical properties of the hydroxymethyl <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(</mi><msub xmlns=""><mi mathvariant="normal">CH</mi><mrow><mn>2</mn></mrow></msub><mi mathvariant="normal" xmlns="">OH</mi><mi xmlns="">)</mi></math> radical: A high precision ab initio study

Open the PDF for in another window

The Renner-Teller effect and Sears resonances in the ground state of the GeCH and GeCD free radicals

Sheng-Gui He; Haiyang Li; Tony C. Smith; Dennis J. Clouthier; Anthony J. Merer

J. Chem. Phys. 119, 10115–10124 (2003) https://doi.org/10.1063/1.1618219

Abstract

View articletitled, The Renner-Teller effect and Sears resonances in the ground state of the GeCH and GeCD free radicals

Open the PDF for in another window

Fragmentation mechanisms of aqueous clusters charged with ions

Styliani Consta; Kirkland R. Mainer; William Novak

J. Chem. Phys. 119, 10125–10132 (2003) https://doi.org/10.1063/1.1619133

Abstract

View articletitled, Fragmentation mechanisms of aqueous clusters charged with ions

Open the PDF for in another window

Improving ab initio infrared spectra of glucose–water complexes by considering explicit intermolecular hydrogen bonds

Teppei Suzuki; Takayuki Sota

J. Chem. Phys. 119, 10133–10137 (2003) https://doi.org/10.1063/1.1619953

Abstract

View articletitled, Improving ab initio infrared spectra of glucose–water complexes by considering explicit intermolecular hydrogen bonds

Open the PDF for in another window

Large anharmonic effects in the infrared spectra of the symmetrical ${CH}_{3} {NO}_{2}^{-} \cdot (H_{2} O)$ and ${CH}_{3} {CO}_{2}^{-} \cdot (H_{2} O)$ complexes

Evgeniy M. Myshakin; Kenneth D. Jordan; Edwin L. Sibert, III; Mark A. Johnson

J. Chem. Phys. 119, 10138–10145 (2003) https://doi.org/10.1063/1.1616918

Abstract

Open the PDF for in another window

Mode-dependent vibrational autoionization of ${NO}_{2}$

Patrice Bell; F. Aguirre; E. R. Grant; S. T. Pratt

J. Chem. Phys. 119, 10146–10157 (2003) https://doi.org/10.1063/1.1618218

Abstract

View articletitled, Mode-dependent vibrational autoionization of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">NO</mi><mrow><mn>2</mn></mrow></msub></math>

Open the PDF for in another window

Vibrationally mediated dissociation dynamics of $H_{2} O$ in the $v_{OH} =2$ polyad

Sergey A. Nizkorodov; Michael Ziemkiewicz; Tanya L. Myers; David J. Nesbitt

J. Chem. Phys. 119, 10158–10168 (2003) https://doi.org/10.1063/1.1616915

Abstract

View articletitled, Vibrationally mediated dissociation dynamics of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">H</mi><mrow><mn>2</mn></mrow></msub><mi mathvariant="normal" xmlns="">O</mi></math> in the <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi>v</mi><mrow><mi mathvariant="normal">OH</mi></mrow></msub><mtext xmlns="">=2</mtext></math> polyad

Open the PDF for in another window

Spectroscopic characterization of the first singlet $(Ã {}^{1}B_{1})$ excited state of ${}^{7}{Li}^{16} O^{7} Li$

D. Bellert; D. K. Winn; W. H. Breckenridge

J. Chem. Phys. 119, 10169–10174 (2003) https://doi.org/10.1063/1.1614773

Abstract

View articletitled, Spectroscopic characterization of the first singlet <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(Ã </mi><mmultiscripts xmlns=""><mi mathvariant="normal">B</mi><mn>1</mn><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>1</mn></mmultiscripts><mi xmlns="">)</mi></math> excited state of <math xmlns="http://www.w3.org/1998/Math/MathML"><mmultiscripts xmlns=""><mi mathvariant="normal">Li</mi><mtext></mtext><mrow><mn>16</mn></mrow><mprescripts></mprescripts><mtext></mtext><mrow><mi mathvariant="normal">7</mi></mrow></mmultiscripts><msup xmlns=""><mi mathvariant="normal">O</mi><mrow><mn>7</mn></mrow></msup><mi mathvariant="normal" xmlns="">Li</mi></math>

Open the PDF for in another window

A state-selected study of the $H_{2}^{+} {(X,v}^{+} {=0–17,N}^{+} =1)+ Ne$ proton transfer reaction using the pulsed-field ionization–photoelectron–secondary ion coincidence scheme

T. Zhang; X.-M. Qian; X. N. Tang; C. Y. Ng; Y. Chiu; D. J. Levandier; J. S. Miller; R. A. Dressler

J. Chem. Phys. 119, 10175–10185 (2003) https://doi.org/10.1063/1.1616916

Abstract

View articletitled, A state-selected study of the <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">H</mi><mrow><mn>2</mn></mrow><mrow><mi>+</mi></mrow></msubsup><msup xmlns=""><mi>(X,v</mi><mrow><mi>+</mi></mrow></msup><msup xmlns=""><mtext>=0–17,N</mtext><mrow><mi>+</mi></mrow></msup><mtext xmlns="">=1)+</mtext><mi mathvariant="normal" xmlns="">Ne</mi></math> proton transfer reaction using the pulsed-field ionization–photoelectron–secondary ion coincidence scheme

Open the PDF for in another window

The effect of spin–orbit coupling in complex forming $O (^{3} P)$ $+ O_{2}$ collisions

Motomichi Tashiro; Reinhard Schinke

J. Chem. Phys. 119, 10186–10193 (2003) https://doi.org/10.1063/1.1616919

Abstract

View articletitled, The effect of spin–orbit coupling in complex forming <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">O</mi><msup xmlns=""><mi>(</mi><mrow><mn>3</mn></mrow></msup><mi xmlns="">P)</mi></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">+</mi><msub xmlns=""><mi mathvariant="normal">O</mi><mrow><mn>2</mn></mrow></msub></math> collisions

Supplementary Material

Open the PDF for in another window

The low-lying electronic states of ${FeO}^{+} :$ Rotational analysis of the resonance enhanced photodissociation spectra of the ${}^{6}Π_{7/2} {←X}^{6} Σ^{+}$ system

Fernando Aguirre; John Husband; Christopher J. Thompson; Kay L. Stringer; Ricardo B. Metz

J. Chem. Phys. 119, 10194–10201 (2003) https://doi.org/10.1063/1.1615521

Abstract

View articletitled, The low-lying electronic states of <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">FeO</mi><mrow><mi>+</mi></mrow></msup><mi xmlns="">:</mi></math> Rotational analysis of the resonance enhanced photodissociation spectra of the <math xmlns="http://www.w3.org/1998/Math/MathML"><mmultiscripts xmlns=""><mi>Π</mi><mrow><mtext>7/2</mtext></mrow><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>6</mn></mmultiscripts><msup xmlns=""><mi>←X </mi><mrow><mn>6</mn></mrow></msup><msup xmlns=""><mi>Σ</mi><mrow><mi>+</mi></mrow></msup></math> system

Open the PDF for in another window

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

Effect of solvent polarity on the photophysical properties of coumarin-1 dye

Atanu Barik; Sukhendu Nath; Haridas Pal

J. Chem. Phys. 119, 10202–10208 (2003) https://doi.org/10.1063/1.1619933

Abstract

View articletitled, Effect of solvent polarity on the photophysical properties of coumarin-1 dye

Open the PDF for in another window

Effects of longitudinal quadrupoles on the phase behavior of a Gay–Berne fluid

Ian M. Withers

J. Chem. Phys. 119, 10209–10223 (2003) https://doi.org/10.1063/1.1615768

Abstract

View articletitled, Effects of longitudinal quadrupoles on the phase behavior of a Gay–Berne fluid

Open the PDF for in another window

Cavity formation in the superheated Lennard-Jones liquid and its connection to homogeneous bubble nucleation: A density-functional theory study

Sudeep Punnathanam; David S. Corti

J. Chem. Phys. 119, 10224–10236 (2003) https://doi.org/10.1063/1.1617275

Abstract

View articletitled, Cavity formation in the superheated Lennard-Jones liquid and its connection to homogeneous bubble nucleation: A density-functional theory study

Open the PDF for in another window

Computer modeling of melting of ionized ice microcrystals

Elena N. Brodskaya; Andrei V. Egorov; Alexander P. Lyubartsev; Aatto Laaksonen

J. Chem. Phys. 119, 10237–10246 (2003) https://doi.org/10.1063/1.1617276

Abstract

View articletitled, Computer modeling of melting of ionized ice microcrystals

Open the PDF for in another window

A density functional theory investigation of 1,1-diamino-2,2-dinitroethylene dimers and crystal

Xue-Hai Ju; He-Ming Xiao; Qi-Ying Xia

J. Chem. Phys. 119, 10247–10255 (2003) https://doi.org/10.1063/1.1618735

Abstract

View articletitled, A density functional theory investigation of 1,1-diamino-2,2-dinitroethylene dimers and crystal

Open the PDF for in another window

A simulation study of the quantum hard-sphere Yukawa fluid

Luis M. Sesé; Lorna E. Bailey

J. Chem. Phys. 119, 10256–10267 (2003) https://doi.org/10.1063/1.1618731

Abstract

View articletitled, A simulation study of the quantum hard-sphere Yukawa fluid

Open the PDF for in another window

Generalized equation of state and exclusion factor for multicomponent systems

Anatoly I. Rusanov

J. Chem. Phys. 119, 10268–10273 (2003) https://doi.org/10.1063/1.1618732

Abstract

View articletitled, Generalized equation of state and exclusion factor for multicomponent systems

Open the PDF for in another window

Conformational space annealing and an off-lattice frustrated model protein

Seung-Yeon Kim; Sung Jong Lee; Jooyoung Lee

J. Chem. Phys. 119, 10274–10279 (2003) https://doi.org/10.1063/1.1616917

Abstract

View articletitled, Conformational space annealing and an off-lattice frustrated model protein

Open the PDF for in another window

Predictions of molecular chirality and helical twisting powers: A theoretical study

David J. Earl; Mark R. Wilson

J. Chem. Phys. 119, 10280–10288 (2003) https://doi.org/10.1063/1.1617980

Abstract

View articletitled, Predictions of molecular chirality and helical twisting powers: A theoretical study

Open the PDF for in another window

Boundary element methods for dielectric cavity construction and integration

Feiwu Chen; Daniel M. Chipman

J. Chem. Phys. 119, 10289–10297 (2003) https://doi.org/10.1063/1.1615232

Abstract

View articletitled, Boundary element methods for dielectric cavity construction and integration

Open the PDF for in another window

Surfaces, Interfaces, and Materials

State-resolved dynamics of 248 nm methyl-iodide fragmentation on GaAs(110)

Abneesh Srivastava; Richard M. Osgood, Jr.

J. Chem. Phys. 119, 10298–10306 (2003) https://doi.org/10.1063/1.1619944

Abstract

View articletitled, State-resolved dynamics of 248 nm methyl-iodide fragmentation on GaAs(110)

Open the PDF for in another window

Reaction of tungsten anion clusters with molecular and atomic nitrogen

Young Dok Kim; Davor Stolcic; Matthias Fischer; Gerd Ganteför

J. Chem. Phys. 119, 10307–10312 (2003) https://doi.org/10.1063/1.1617976

Abstract

View articletitled, Reaction of tungsten anion clusters with molecular and atomic nitrogen

Open the PDF for in another window

Silicon and metal nanotemplates: Size and species dependence of structural and electronic properties

G. K. Gueorguiev; J. M. Pacheco

J. Chem. Phys. 119, 10313–10317 (2003) https://doi.org/10.1063/1.1617977

Abstract

View articletitled, Silicon and metal nanotemplates: Size and species dependence of structural and electronic properties

Open the PDF for in another window

Multiconfigurational self-consistent field study of the silicon carbide (001) surface

Hiroyuki Tamura; Mark S. Gordon

J. Chem. Phys. 119, 10318–10324 (2003) https://doi.org/10.1063/1.1617973

Abstract

View articletitled, Multiconfigurational self-consistent field study of the silicon carbide (001) surface

Open the PDF for in another window

Nuclear spin polarization transfer across an organic-semiconductor interface

Lucas Goehring; Carl A. Michal

J. Chem. Phys. 119, 10325–10329 (2003) https://doi.org/10.1063/1.1617975

Abstract

View articletitled, Nuclear spin polarization transfer across an organic-semiconductor interface

Open the PDF for in another window

Classical density functional study of multisite amphiphile mesostructures

P. S. Christopher; David W. Oxtoby

J. Chem. Phys. 119, 10330–10338 (2003) https://doi.org/10.1063/1.1617979

Abstract

View articletitled, Classical density functional study of multisite amphiphile mesostructures

Open the PDF for in another window

Langmuir films of normal-alkanes on the surface of liquid mercury

H. Kraack; B. M. Ocko; P. S. Pershan; E. Sloutskin; M. Deutsch

J. Chem. Phys. 119, 10339–10349 (2003) https://doi.org/10.1063/1.1618211

Abstract

View articletitled, Langmuir films of normal-alkanes on the surface of liquid mercury

Open the PDF for in another window

A continuum approach to electron solvation by a layer of polar adsorbates

K. L. Sebastian; Aniruddha Chakraborty; M. Tachiya

J. Chem. Phys. 119, 10350–10357 (2003) https://doi.org/10.1063/1.1618217

Abstract

View articletitled, A continuum approach to electron solvation by a layer of polar adsorbates

Open the PDF for in another window

Nuclear magnetic resonance study of the vapor phase contribution to diffusion in nanoporous glasses partially filled with water and cyclohexane

Ioan Ardelean; Carlos Mattea; German Farrher; Surjani Wonorahardjo; Rainer Kimmich

J. Chem. Phys. 119, 10358–10362 (2003) https://doi.org/10.1063/1.1618214

Abstract

View articletitled, Nuclear magnetic resonance study of the vapor phase contribution to diffusion in nanoporous glasses partially filled with water and cyclohexane

Open the PDF for in another window

Disjoining pressure of thin films on spherical core particles

Ismo Napari; Ari Laaksonen

J. Chem. Phys. 119, 10363–10366 (2003) https://doi.org/10.1063/1.1619949

Abstract

View articletitled, Disjoining pressure of thin films on spherical core particles

Open the PDF for in another window

Complete analysis of the angular momentum distribution of molecules desorbing from a surface

S. Borowski; T. Klüner; H.-J. Freund

J. Chem. Phys. 119, 10367–10375 (2003) https://doi.org/10.1063/1.1618212

Abstract

View articletitled, Complete analysis of the angular momentum distribution of molecules desorbing from a surface

Open the PDF for in another window

Phase field theory of crystal nucleation in hard sphere liquid

László Gránásy; Tamás Pusztai; Gyula Tóth; Zoltán Jurek; Massimo Conti; Bjørn Kvamme

J. Chem. Phys. 119, 10376–10382 (2003) https://doi.org/10.1063/1.1618213

Abstract

View articletitled, Phase field theory of crystal nucleation in hard sphere liquid

Open the PDF for in another window

Osmotic de-swelling of ionic microgel particles

A. Fernández-Nieves; A. Fernández-Barbero; B. Vincent; F. J. de las Nieves

J. Chem. Phys. 119, 10383–10388 (2003) https://doi.org/10.1063/1.1618734

Abstract

View articletitled, Osmotic de-swelling of ionic microgel particles

Open the PDF for in another window

Dissociative adsorption of pyrrole on $Si (111)-(7×7)$

Ze Liang Yuan; Xian Feng Chen; Zhong Hai Wang; Kian Soon Yong; Yong Cao; Guo Qin Xu

J. Chem. Phys. 119, 10389–10395 (2003) https://doi.org/10.1063/1.1619941

Abstract

View articletitled, Dissociative adsorption of pyrrole on <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">Si</mi><mtext xmlns="">(111)-(7×7)</mtext></math>

Open the PDF for in another window

Low energy electron interaction with free and bound ${SF}_{5} {CF}_{3} :$ Negative ion formation from single molecules, clusters and nanofilms

Richard Balog; Michal Stano; Paulo Limão-Vieira; Constanze König; Ilko Bald; Nigel J. Mason; Eugen Illenberger

J. Chem. Phys. 119, 10396–10403 (2003) https://doi.org/10.1063/1.1617978

Abstract

View articletitled, Low energy electron interaction with free and bound <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">SF</mi><mrow><mn>5</mn></mrow></msub><msub xmlns=""><mi mathvariant="normal">CF</mi><mrow><mn>3</mn></mrow></msub><mi xmlns="">:</mi></math> Negative ion formation from single molecules, clusters and nanofilms

Open the PDF for in another window

A model for persistent hole burned spectra and hole growth kinetics that includes photoproduct absorption: Application to free base phthalocyanine in hyperquenched glassy ortho-dichlorobenzene at 5 K

T. Reinot; N. C. Dang; G. J. Small

J. Chem. Phys. 119, 10404–10414 (2003) https://doi.org/10.1063/1.1605371

Abstract

View articletitled, A model for persistent hole burned spectra and hole growth kinetics that includes photoproduct absorption: Application to free base phthalocyanine in hyperquenched glassy ortho-dichlorobenzene at 5 K

Open the PDF for in another window

Polymers, Biopolymers, and Complex Systems

A joint theoretical and experimental study on the electronic properties of phenyl-capped 3,4-ethylenedioxythiophene oligomers

W. Osikowicz; A. W. Denier van der Gon; X. Crispin; M. P. de Jong; R. Friedlein; L. Groenendaal; M. Fahlman; D. Beljonne; R. Lazzaroni; W. R. Salaneck

J. Chem. Phys. 119, 10415–10420 (2003) https://doi.org/10.1063/1.1617273

Abstract

View articletitled, A joint theoretical and experimental study on the electronic properties of phenyl-capped 3,4-ethylenedioxythiophene oligomers

Open the PDF for in another window

Dynamical signature of two “ideal glass transitions” in nematic liquid crystals

Hu Cang; Jie Li; V. N. Novikov; M. D. Fayer

J. Chem. Phys. 119, 10421–10427 (2003) https://doi.org/10.1063/1.1618215

Abstract

View articletitled, Dynamical signature of two “ideal glass transitions” in nematic liquid crystals

Open the PDF for in another window

Conformational behavior of a single polymer chain confined by a two-dimensional harmonic potential in good solvents

Chwen-Yang Shew

J. Chem. Phys. 119, 10428–10437 (2003) https://doi.org/10.1063/1.1616512

Abstract

View articletitled, Conformational behavior of a single polymer chain confined by a two-dimensional harmonic potential in good solvents

Open the PDF for in another window

Matrix-induced nanoparticle interactions in a polymer melt: A molecular dynamics simulation study

Dmitry Bedrov; Grant D. Smith; James S. Smith

J. Chem. Phys. 119, 10438–10447 (2003) https://doi.org/10.1063/1.1615965

Abstract

View articletitled, Matrix-induced nanoparticle interactions in a polymer melt: A molecular dynamics simulation study

Open the PDF for in another window

LETTERS TO THE EDITOR

Comments

Comment on “A simple molecular thermodynamic theory of hydrophobic hydration” [J. Chem. Phys. 116, 2907 (2002)]

Giuseppe Graziano

J. Chem. Phys. 119, 10448–10449 (2003) https://doi.org/10.1063/1.1619937

Abstract

View articletitled, Comment on “A simple molecular thermodynamic theory of hydrophobic hydration” [J. Chem. Phys. 116, 2907 (2002)]

Open the PDF for in another window

Response to “Comment on ‘A simple molecular thermodynamic theory of hydrophobic hydration’ ” [J. Chem. Phys. 119, 10448 (2003)]

Henry S. Ashbaugh; Thomas M. Truskett; Pablo G. Debenedetti

J. Chem. Phys. 119, 10450–10451 (2003) https://doi.org/10.1063/1.1619938

Abstract

View articletitled, Response to “Comment on ‘A simple molecular thermodynamic theory of hydrophobic hydration’ ” [J. Chem. Phys. 119, 10448 (2003)]

Open the PDF for in another window

Errata

Erratum: “Semiclassical calculation of collisional dissociation cross sections for $N + N_{2} ”$ [J. Chem. Phys. 117, 6556 (2002)]

Catherine Tully; Robert E. Johnson

J. Chem. Phys. 119, 10452–10453 (2003) https://doi.org/10.1063/1.1620504

View articletitled, Erratum: “Semiclassical calculation of collisional dissociation cross sections for <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">N</mi><mi xmlns="">+</mi><msub xmlns=""><mi mathvariant="normal">N</mi><mrow><mn>2</mn></mrow></msub><mi xmlns="">”</mi></math> [J. Chem. Phys. 117, 6556 (2002)]

Open the PDF for in another window

Erratum: “Electrostatic interactions in dissipative particle dynamics—simulation of polyelectrolytes and anionic surfactants” [J. Chem. Phys. 118, 11265 (2003)]

R. D. Groot

J. Chem. Phys. 119, 10454 (2003) https://doi.org/10.1063/1.1621380

View articletitled, Erratum: “Electrostatic interactions in dissipative particle dynamics—simulation of polyelectrolytes and anionic surfactants” [J. Chem. Phys. 118, 11265 (2003)]

Open the PDF for in another window

Issues

COMMUNICATIONS

ARTICLES

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, Biopolymers, and Complex Systems

LETTERS TO THE EDITOR

Comments

Errata

RSS

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only