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Prediction of a linear polymer made of xenon and carbon

Eric C. Brown; Arik Cohen; R. Benny Gerber

J. Chem. Phys. 122, 171101 (2005) https://doi.org/10.1063/1.1903943

Abstract

View articletitled, Prediction of a linear polymer made of xenon and carbon

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A molecular dynamics simulation of the electrical conductivity behaviors of highly concentrated liquid ammoniates $Na I ∙ α N H_{3}$ ⁠: Comparison with experimental measurements

S. Picaud; P. N. M. Hoang; G. Herlem

J. Chem. Phys. 122, 171102 (2005) https://doi.org/10.1063/1.1902883

Abstract

View articletitled, A molecular dynamics simulation of the electrical conductivity behaviors of highly concentrated liquid ammoniates <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">Na</mi><mi mathvariant="normal">I</mi><mo>∙</mo><mi>α</mi><mi mathvariant="normal">N</mi><msub><mi mathvariant="normal">H</mi><mn>3</mn></msub></mrow></math>⁠</span>: Comparison with experimental measurements

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ARTICLES

Theoretical Methods and Algorithms

Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators

Dušanka Janežič; Matej Praprotnik; Franci Merzel

J. Chem. Phys. 122, 174101 (2005) https://doi.org/10.1063/1.1884607

Abstract

View articletitled, Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators

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Molecular dynamics integration and molecular vibrational theory. II. Simulation of nonlinear molecules

Matej Praprotnik; Dušanka Janežič

J. Chem. Phys. 122, 174102 (2005) https://doi.org/10.1063/1.1884608

Abstract

View articletitled, Molecular dynamics integration and molecular vibrational theory. II. Simulation of nonlinear molecules

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Molecular dynamics integration and molecular vibrational theory. III. The infrared spectrum of water

Matej Praprotnik; Dušanka Janežič

J. Chem. Phys. 122, 174103 (2005) https://doi.org/10.1063/1.1884609

Abstract

View articletitled, Molecular dynamics integration and molecular vibrational theory. III. The infrared spectrum of water

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Effective potential analytic continuation approach for real time quantum correlation functions involving nonlinear operators

Atsushi Horikoshi; Kenichi Kinugawa

J. Chem. Phys. 122, 174104 (2005) https://doi.org/10.1063/1.1888576

Abstract

View articletitled, Effective potential analytic continuation approach for real time quantum correlation functions involving nonlinear operators

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Pattern formation in nonextensive thermodynamics: Selection criterion based on the Renyi entropy production

Olgierd Cybulski; Daniel Matysiak; Volodymyr Babin; Robert Holyst

J. Chem. Phys. 122, 174105 (2005) https://doi.org/10.1063/1.1886728

Abstract

View articletitled, Pattern formation in nonextensive thermodynamics: Selection criterion based on the Renyi entropy production

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A growing string method for the reaction pathway defined by a Newton trajectory

Wolfgang Quapp

J. Chem. Phys. 122, 174106 (2005) https://doi.org/10.1063/1.1885467

Abstract

View articletitled, A growing string method for the reaction pathway defined by a Newton trajectory

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Quantum vibrational state-dependent potentials for classical many-body simulations

Jeanne M. Riga; Erick Fredj; Craig C. Martens

J. Chem. Phys. 122, 174107 (2005) https://doi.org/10.1063/1.1888575

Abstract

View articletitled, Quantum vibrational state-dependent potentials for classical many-body simulations

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Symmetry-adapted correlation function for semiclassical quantization

Koji Hotta; Kazuo Takatsuka

J. Chem. Phys. 122, 174108 (2005) https://doi.org/10.1063/1.1888580

Abstract

View articletitled, Symmetry-adapted correlation function for semiclassical quantization

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Smooth relativistic Hartree–Fock pseudopotentials for H to Ba and Lu to Hg

J. R. Trail; R. J. Needs

J. Chem. Phys. 122, 174109 (2005) https://doi.org/10.1063/1.1888569

Abstract

View articletitled, Smooth relativistic Hartree–Fock pseudopotentials for H to Ba and Lu to Hg

Supplementary Material

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

Experimental measurement of the induced dipole moment of an isolated molecule in its ground and electronically excited states: Indole and indole– $H_{2} O$

Cheolhwa Kang; Timothy M. Korter; David W. Pratt

J. Chem. Phys. 122, 174301 (2005) https://doi.org/10.1063/1.1883635

Abstract

View articletitled, Experimental measurement of the induced dipole moment of an isolated molecule in its ground and electronically excited states: Indole and indole–<span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mrow><msub><mi mathvariant="normal">H</mi><mn>2</mn></msub><mi mathvariant="normal">O</mi></mrow></mrow></math></span>

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Superpositions of chiral states in the presence of electric dipole, magnetic dipole, and electric quadrupole interactions

Vikram S. Athalye; Arvind Kumar

J. Chem. Phys. 122, 174302 (2005) https://doi.org/10.1063/1.1883645

Abstract

View articletitled, Superpositions of chiral states in the presence of electric dipole, magnetic dipole, and electric quadrupole interactions

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Photodissociation dynamics of $N_{2} O$ at 130 nm: The $N_{2} (A {}^{3}Σ_{u}^{+}, B {}^{3}Π_{g}) + O ({}^{3}P_{J = 2, 1,})$ channels

Mark F. Witinski; Marivi Ortiz-Suárez; H. Floyd Davis

J. Chem. Phys. 122, 174303 (2005) https://doi.org/10.1063/1.1888578

Abstract

View articletitled, Photodissociation dynamics of <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">N</mi><mn>2</mn></msub><mi mathvariant="normal" xmlns="">O</mi></math></span> at 130 nm: The <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">N</mi><mn>2</mn></msub><mrow><mo>(</mo><mi>A</mi><mspace width="0.2em"></mspace><mmultiscripts><mi>Σ</mi><mi>u</mi><mtext></mtext><mtext></mtext><mo>+</mo><mprescripts></mprescripts><mtext></mtext><mn>3</mn></mmultiscripts><mo>,</mo><mi>B</mi><mspace width="0.2em"></mspace><mmultiscripts><mi>Π</mi><mi>g</mi><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>3</mn></mmultiscripts><mo>)</mo></mrow><mo>+</mo><mi mathvariant="normal">O</mi><mrow><mo>(</mo><mmultiscripts><mi>P</mi><mrow><mi>J</mi><mo>=</mo><mn>2</mn><mo>,</mo><mn>1</mn><mo>,</mo><mn></mn></mrow><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>3</mn></mmultiscripts><mo>)</mo></mrow></mrow></math></span> channels

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Photodissociation channels for $N_{2} O$ near 130 nm studied by product imaging

H. M. Lambert; E. W. Davis; O. Tokel; A. A. Dixit; P. L. Houston

J. Chem. Phys. 122, 174304 (2005) https://doi.org/10.1063/1.1888579

Abstract

View articletitled, Photodissociation channels for <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">N</mi><mn>2</mn></msub><mi mathvariant="normal">O</mi></mrow></math></span> near 130 nm studied by product imaging

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Time-resolved imaging of the reaction coordinate

Richard Mabbs; Kostyantyn Pichugin; Andrei Sanov

J. Chem. Phys. 122, 174305 (2005) https://doi.org/10.1063/1.1887170

Abstract

View articletitled, Time-resolved imaging of the reaction coordinate

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An investigation of nonadiabatic interactions in $Cl ({}^{2}P_{j}) + D_{2}$ via crossed-molecular-beam scattering

Bradley F. Parsons; David W. Chandler

J. Chem. Phys. 122, 174306 (2005) https://doi.org/10.1063/1.1881212

Abstract

View articletitled, An investigation of nonadiabatic interactions in <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">Cl</mi><mrow><mo>(</mo><mmultiscripts><mi>P</mi><mi>j</mi><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>2</mn></mmultiscripts><mo>)</mo></mrow><mo>+</mo><msub><mi mathvariant="normal">D</mi><mn>2</mn></msub></mrow></math></span> via crossed-molecular-beam scattering

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The photodynamics of ethylene: A surface-hopping study on structural aspects

M. Barbatti; M. Ruckenbauer; H. Lischka

J. Chem. Phys. 122, 174307 (2005) https://doi.org/10.1063/1.1888573

Abstract

View articletitled, The photodynamics of ethylene: A surface-hopping study on structural aspects

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Rotational spectrum and carbon-13 hyperfine structure of the $C_{3} H$ ⁠, $C_{5} H$ ⁠, $C_{6} H$ ⁠, and $C_{7} H$ radicals

M. C. McCarthy; P. Thaddeus

J. Chem. Phys. 122, 174308 (2005) https://doi.org/10.1063/1.1867356

Abstract

Supplementary Material

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The structures of $m$ -benzyne and tetrafluoro- $m$ -benzyne

Christopher E. Smith; T. Daniel Crawford; Dieter Cremer

J. Chem. Phys. 122, 174309 (2005) https://doi.org/10.1063/1.1888570

Abstract

View articletitled, The structures of <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">m</mi></math></span>-benzyne and tetrafluoro-<span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">m</mi></math></span>-benzyne

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Relativistic effects determined using the Douglas–Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials

Scott Yockel; Angela K. Wilson

J. Chem. Phys. 122, 174310 (2005) https://doi.org/10.1063/1.1888571

Abstract

View articletitled, Relativistic effects determined using the Douglas–Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials

Supplementary Material

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First-principles studies on the reactions of $O_{2}$ with silicon clusters

S. F. Li; X. G. Gong

J. Chem. Phys. 122, 174311 (2005) https://doi.org/10.1063/1.1885465

Abstract

View articletitled, First-principles studies on the reactions of <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">O</mi><mn>2</mn></msub></math></span> with silicon clusters

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Ab initio intermolecular potential energy surface, bound states, and microwave spectra for the van der Waals complex Ne–HCCCN

Yanzi Zhou; Daiqian Xie

J. Chem. Phys. 122, 174312 (2005) https://doi.org/10.1063/1.1888567

Abstract

View articletitled, <em>Ab initio</em> intermolecular potential energy surface, bound states, and microwave spectra for the van der Waals complex Ne–HCCCN

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Infrared spectra of ${CO}_{2} – H_{2}$ complexes

A. R. W. McKellar

J. Chem. Phys. 122, 174313 (2005) https://doi.org/10.1063/1.1888577

Abstract

View articletitled, Infrared spectra of <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi>CO</mi><mn>2</mn></msub><mtext xmlns="">–</mtext><msub xmlns=""><mi mathvariant="normal">H</mi><mn>2</mn></msub></math></span> complexes

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

Orientational dynamics of water confined on a nanometer length scale in reverse micelles

Howe-Siang Tan; Ivan R. Piletic; M. D. Fayer

J. Chem. Phys. 122, 174501 (2005) https://doi.org/10.1063/1.1883605

Abstract

View articletitled, Orientational dynamics of water confined on a nanometer length scale in reverse micelles

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Dispersion of the Raman depolarization ratio of HDO in water and heavy water from $295 to 368 K$ ⁠, and from concentrated $Na Cl O_{4} ∕ D_{2} O ∕ H_{2} O$

George E. Walrafen

J. Chem. Phys. 122, 174502 (2005) https://doi.org/10.1063/1.1883626

Abstract

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A random walk through the dynamics of homogeneous vapor-liquid nucleation

David M. Huang; Phil Attard

J. Chem. Phys. 122, 174503 (2005) https://doi.org/10.1063/1.1884086

Abstract

View articletitled, A random walk through the dynamics of homogeneous vapor-liquid nucleation

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A new mechanism for electron spin echo envelope modulation

John J. L. Morton; Alexei M. Tyryshkin; Arzhang Ardavan; Kyriakos Porfyrakis; S. A. Lyon; G. Andrew D. Briggs

J. Chem. Phys. 122, 174504 (2005) https://doi.org/10.1063/1.1888585

Abstract

View articletitled, A new mechanism for electron spin echo envelope modulation

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Study of intermolecular interactions in liquid nitrobenzene by depolarized hyper-Rayleigh scattering

J. Chen; K. Y. Wong

J. Chem. Phys. 122, 174505 (2005) https://doi.org/10.1063/1.1884085

Abstract

View articletitled, Study of intermolecular interactions in liquid nitrobenzene by depolarized hyper-Rayleigh scattering

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Structure and ultrafast dynamics of liquid water: A quantum mechanics/molecular mechanics molecular dynamics simulations study

Demetrios Xenides; Bernhard R. Randolf; Bernd M. Rode

J. Chem. Phys. 122, 174506 (2005) https://doi.org/10.1063/1.1888465

Abstract

View articletitled, Structure and ultrafast dynamics of liquid water: A quantum mechanics/molecular mechanics molecular dynamics simulations study

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Classical and quantum mechanical infrared echoes from resonantly coupled molecular vibrations

W. G. Noid; Roger F. Loring

J. Chem. Phys. 122, 174507 (2005) https://doi.org/10.1063/1.1888485

Abstract

View articletitled, Classical and quantum mechanical infrared echoes from resonantly coupled molecular vibrations

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Monte Carlo simulation study of droplet nucleation

Alexander V. Neimark; Aleksey Vishnyakov

J. Chem. Phys. 122, 174508 (2005) https://doi.org/10.1063/1.1888389

Abstract

View articletitled, Monte Carlo simulation study of droplet nucleation

Supplementary Material

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Characterizing the nature of virtual amorphous silicon

Devashish Choudhary; Paulette Clancy

J. Chem. Phys. 122, 174509 (2005) https://doi.org/10.1063/1.1888566

Abstract

View articletitled, Characterizing the nature of virtual amorphous silicon

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On the computational calculation of surface free energies for the disordered semihexagonal reconstructed Au(100) surface

Gregory Grochola; Ian K. Snook; Salvy P. Russo

J. Chem. Phys. 122, 174510 (2005) https://doi.org/10.1063/1.1886745

Abstract

View articletitled, On the computational calculation of surface free energies for the disordered semihexagonal reconstructed Au(100) surface

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High-pressure vibrational spectroscopy of sulfur dioxide

Yang Song; Zhenxian Liu; Ho-kwang Mao; Russell J. Hemley; Dudley R. Herschbach

J. Chem. Phys. 122, 174511 (2005) https://doi.org/10.1063/1.1883405

Abstract

View articletitled, High-pressure vibrational spectroscopy of sulfur dioxide

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Hydrogen bonding in supercritical tert-butanol assessed by vibrational spectroscopies and molecular-dynamics simulations

J-M. Andanson; J-C. Soetens; T. Tassaing; M. Besnard

J. Chem. Phys. 122, 174512 (2005) https://doi.org/10.1063/1.1886730

Abstract

View articletitled, Hydrogen bonding in supercritical <em>tert</em>-butanol assessed by vibrational spectroscopies and molecular-dynamics simulations

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Tetrahedral order in homologous disaccharide-water mixtures

C. Branca; S. Maccarrone; S. Magazù; G. Maisano; S. M. Bennington; J. Taylor

J. Chem. Phys. 122, 174513 (2005) https://doi.org/10.1063/1.1887167

Abstract

View articletitled, Tetrahedral order in homologous disaccharide-water mixtures

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Segregation in aqueous methanol enhanced by cooling and compression

L. Dougan; R. Hargreaves; S. P. Bates; J. L. Finney; V. Réat; A. K. Soper; J. Crain

J. Chem. Phys. 122, 174514 (2005) https://doi.org/10.1063/1.1888405

Abstract

View articletitled, Segregation in aqueous methanol enhanced by cooling and compression

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Role of local structure on motions on the potential energy landscape for a model supercooled polymer

Tushar S. Jain; Juan J. de Pablo

J. Chem. Phys. 122, 174515 (2005) https://doi.org/10.1063/1.1888505

Abstract

View articletitled, Role of local structure on motions on the potential energy landscape for a model supercooled polymer

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Surfaces, Interfaces, and Materials

The elastic constants and related properties of $β$ -HMX determined by Brillouin scattering

Lewis L. Stevens; Craig J. Eckhardt

J. Chem. Phys. 122, 174701 (2005) https://doi.org/10.1063/1.1883627

Abstract

View articletitled, The elastic constants and related properties of <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">β</mi></math></span>-HMX determined by Brillouin scattering

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Parametrization of an anharmonic Kirkwood–Keating potential for ${Al}_{x} {Ga}_{1 - x} As$ alloys

Eunji Sim; Joost Beckers; Simon de Leeuw; Michael Thorpe; Mark A. Ratner

J. Chem. Phys. 122, 174702 (2005) https://doi.org/10.1063/1.1883628

Abstract

View articletitled, Parametrization of an anharmonic Kirkwood–Keating potential for <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">Al</mi><mi>x</mi></msub><msub><mi mathvariant="normal">Ga</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi mathvariant="normal">As</mi></mrow></math></span> alloys

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The optical properties of ZnO hexagonal prisms grown from poly (vinylpyrrolidone)-assisted electrochemical assembly onto Si (111) substrate

Y. L. Liu; Y. C. Liu; W. Feng; J. Y. Zhang; Y. M. Lu; D. Z. Shen; X. W. Fan; D. J. Wang; Q. D. Zhao

J. Chem. Phys. 122, 174703 (2005) https://doi.org/10.1063/1.1883633

Abstract

View articletitled, The optical properties of ZnO hexagonal prisms grown from poly (vinylpyrrolidone)-assisted electrochemical assembly onto Si (111) substrate

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First-principles study of the adsorption of cesium on $Si (001) (2 \times 1)$ surface

H. Y. Xiao; X. T. Zu; Y. F. Zhang; L. Yang

J. Chem. Phys. 122, 174704 (2005) https://doi.org/10.1063/1.1886733

Abstract

View articletitled, First-principles study of the adsorption of cesium on <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">Si</mi><mrow><mo>(</mo><mn>001</mn><mo>)</mo></mrow><mrow><mo>(</mo><mn>2</mn><mo>×</mo><mn>1</mn><mo>)</mo></mrow></mrow></math></span> surface

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Adsorption of carbon on Pd clusters of nanometer size: A first-principles theoretical study

Konstantin M. Neyman; Chan Inntam; Alexei B. Gordienko; Ilya V. Yudanov; Notker Rösch

J. Chem. Phys. 122, 174705 (2005) https://doi.org/10.1063/1.1888385

Abstract

View articletitled, Adsorption of carbon on Pd clusters of nanometer size: A first-principles theoretical study

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“Black spots” in a surfactant-rich Belousov–Zhabotinsky reaction dispersed in a water-in-oil microemulsion system

Akiko Kaminaga; Vladimir K. Vanag; Irving R. Epstein

J. Chem. Phys. 122, 174706 (2005) https://doi.org/10.1063/1.1888386

Abstract

View articletitled, “Black spots” in a surfactant-rich Belousov–Zhabotinsky reaction dispersed in a water-in-oil microemulsion system

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Adsorption and diffusion of Mg, O, and $O_{2}$ on the MgO(001) flat surface

Grégory Geneste; Joseph Morillo; Fabio Finocchi

J. Chem. Phys. 122, 174707 (2005) https://doi.org/10.1063/1.1886734

Abstract

View articletitled, Adsorption and diffusion of Mg, O, and <span class="inline-formula no-formula-id"><span class="mathFormula"></span><math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">O</mi><mn>2</mn></msub></mrow></math></span> on the MgO(001) flat surface

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Density-functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids

Zhidong Li; Dapeng Cao; Jianzhong Wu

J. Chem. Phys. 122, 174708 (2005) https://doi.org/10.1063/1.1886685

Abstract

View articletitled, Density-functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids

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A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

F. Viñes; C. Sousa; P. Liu; J. A. Rodriguez; F. Illas

J. Chem. Phys. 122, 174709 (2005) https://doi.org/10.1063/1.1888370

Abstract

View articletitled, A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

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Polymers, Biopolymers, and Complex Systems

Propagation of an electromagnetic wave in an absorbing anisotropic medium and infrared transmission spectroscopy of liquid crystals

B. K. P. Scaife; J. K. Vij

J. Chem. Phys. 122, 174901 (2005) https://doi.org/10.1063/1.1874833

Abstract

View articletitled, Propagation of an electromagnetic wave in an absorbing anisotropic medium and infrared transmission spectroscopy of liquid crystals

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Spatial scale-dependent tracer diffusion in bulk polycarbonate studied by holographic relaxation

A. Veniaminov; H. Sillescu; E. Bartsch

J. Chem. Phys. 122, 174902 (2005) https://doi.org/10.1063/1.1884517

Abstract

View articletitled, Spatial scale-dependent tracer diffusion in bulk polycarbonate studied by holographic relaxation

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Amide I vibrational circular dichroism of polypeptides: Generalized fragmentation approximation method

Jun-Ho Choi; Joong-Soo Kim; Minhaeng Cho

J. Chem. Phys. 122, 174903 (2005) https://doi.org/10.1063/1.1888390

Abstract

View articletitled, Amide I vibrational circular dichroism of polypeptides: Generalized fragmentation approximation method

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Following the aggregation of amyloid-forming peptides by computer simulations

Adrien Melquiond; Geneviève Boucher; Normand Mousseau; Philippe Derreumaux

J. Chem. Phys. 122, 174904 (2005) https://doi.org/10.1063/1.1886725

Abstract

View articletitled, Following the aggregation of amyloid-forming peptides by computer simulations

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Nucleation of ordered solid phases of proteins via a disordered high-density state: Phenomenological approach

Weichun Pan; Anatoly B. Kolomeisky; Peter G. Vekilov

J. Chem. Phys. 122, 174905 (2005) https://doi.org/10.1063/1.1887168

Abstract

View articletitled, Nucleation of ordered solid phases of proteins via a disordered high-density state: Phenomenological approach

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Density functional theory of adsorption of mixtures of charged chain particles and spherical counterions

P. Bryk; O. Pizio; S. Sokołowski

J. Chem. Phys. 122, 174906 (2005) https://doi.org/10.1063/1.1888425

Abstract

View articletitled, Density functional theory of adsorption of mixtures of charged chain particles and spherical counterions

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Dense orientationally ordered states of a single semiflexible macromolecule: An expanded ensemble Monte Carlo simulation

J. A. Martemyanova; M. R. Stukan; V. A. Ivanov; M. Müller; W. Paul; K. Binder

J. Chem. Phys. 122, 174907 (2005) https://doi.org/10.1063/1.1888525

Abstract

View articletitled, Dense orientationally ordered states of a single semiflexible macromolecule: An expanded ensemble Monte Carlo simulation

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Thermodynamics of folding and association of lattice-model proteins

Troy Cellmer; Dusan Bratko; John M. Prausnitz; Harvey Blanch

J. Chem. Phys. 122, 174908 (2005) https://doi.org/10.1063/1.1888545

Abstract

View articletitled, Thermodynamics of folding and association of lattice-model proteins

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Examination of membrane fusion by dissipative particle dynamics simulation and comparison with continuum elastic models

Da-Wei Li; Xiang Yang Liu

J. Chem. Phys. 122, 174909 (2005) https://doi.org/10.1063/1.1889433

Abstract

View articletitled, Examination of membrane fusion by dissipative particle dynamics simulation and comparison with continuum elastic models

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A mathematical model of crystallization in an emulsion

Daniel L. Feltham; John Garside

J. Chem. Phys. 122, 174910 (2005) https://doi.org/10.1063/1.1886705

Abstract

View articletitled, A mathematical model of crystallization in an emulsion

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LETTERS TO THE EDITOR

Notes

Effect of monovacancies on the relative stability of fcc and hcp hard-sphere crystals

Sang Kyu Kwak; David A. Kofke

J. Chem. Phys. 122, 176101 (2005) https://doi.org/10.1063/1.1888445

Abstract

View articletitled, Effect of monovacancies on the relative stability of fcc and hcp hard-sphere crystals

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Errata

Erratum: The application of a VUV Fourier transform spectrometer and synchrotron radiation source to measurements of absorption bands of NO [
J. Chem. Phys.

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2003
)]

A. P. Thorne; J. Rufus; K. Yoshino; A. S-C. Cheung; T. Imajo

J. Chem. Phys. 122, 179901 (2005) https://doi.org/10.1063/1.1883648

Extract

View articletitled, Erratum: The application of a VUV Fourier transform spectrometer and synchrotron radiation source to measurements of absorption bands of NO [<span class="related-article"><div class="source">J. Chem. Phys.</div> <div class="volume">115</div>, <div class="fpage">3719</div> (<div class="year">2001</div>)</span>; <span class="related-article"><div class="volume">116</div>, <div class="fpage">155</div> (<div class="year">2002</div>)</span>; <span class="related-article"><div class="volume">117</div>, <div class="fpage">10621</div> (<div class="year">2002</div>)</span>; <span class="related-article"><div class="volume">119</div>, <div class="fpage">8373</div> (<div class="year">2003</div>)</span>]

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