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THEORETICAL METHODS AND ALGORITHMS

Wave packet interferometry without phase-locking

C. Leichtle; W. P. Schleich; I. Sh. Averbukh; M. Shapiro

J. Chem. Phys. 108, 6057–6067 (1998) https://doi.org/10.1063/1.476501

Abstract

View articletitled, Wave packet interferometry without phase-locking

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Discrete energy representation and generalized propagation of physical systems

Rongqing Chen; Hua Guo

J. Chem. Phys. 108, 6068–6077 (1998) https://doi.org/10.1063/1.476017

Abstract

View articletitled, Discrete energy representation and generalized propagation of physical systems

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Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes

T. A. Wesołowski; Y. Ellinger; J. Weber

J. Chem. Phys. 108, 6078–6083 (1998) https://doi.org/10.1063/1.476018

Abstract

View articletitled, Density functional theory with an approximate kinetic energy functional applied to study structure and stability of weak van der Waals complexes

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Quantum mechanical calculation of inelastic scattering of an atom by a large anharmonic cluster: Application to ${He+Ar}_{13}$

A. Y. Rom; D. Neuhauser; R. B. Gerber

J. Chem. Phys. 108, 6084–6092 (1998) https://doi.org/10.1063/1.476019

Abstract

View articletitled, Quantum mechanical calculation of inelastic scattering of an atom by a large anharmonic cluster: Application to <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">He+Ar</mi><mrow><mi mathvariant="normal">13</mi></mrow></msub></math>

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Momentum studies of electron correlation in the ground state of the $H_{3}^{+}$ molecule ion

K. E. Banyard; J. Sanders

J. Chem. Phys. 108, 6093–6101 (1998) https://doi.org/10.1063/1.476020

Abstract

View articletitled, Momentum studies of electron correlation in the ground state of the <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">H</mi><mrow><mi mathvariant="normal">3</mi></mrow><mrow><mi mathvariant="normal">+</mi></mrow></msubsup></math> molecule ion

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A nonlocal current density functional for magnetic responses

Freddie R. Salsbury, Jr.; Robert A. Harris

J. Chem. Phys. 108, 6102–6108 (1998) https://doi.org/10.1063/1.476319

Abstract

View articletitled, A nonlocal current density functional for magnetic responses

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Validation of molecular dynamics simulation

Wilfred F. van Gunsteren; Alan E. Mark

J. Chem. Phys. 108, 6109–6116 (1998) https://doi.org/10.1063/1.476021

Abstract

View articletitled, Validation of molecular dynamics simulation

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Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations: Influence on the simulated energetic, structural, and dielectric properties of liquid water

Philippe H. Hünenberger; Wilfred F. van Gunsteren

J. Chem. Phys. 108, 6117–6134 (1998) https://doi.org/10.1063/1.476022

Abstract

View articletitled, Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations: Influence on the simulated energetic, structural, and dielectric properties of liquid water

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GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY

Structure and dynamics of intermediate benzene–argon clusters: ${(C}_{6} H_{6} {)Ar}_{n},$ $n=13–40$

David C. Easter; Lino Bailey; James Mellot; Michael Tirres; Todd Weiss

J. Chem. Phys. 108, 6135–6143 (1998) https://doi.org/10.1063/1.476023

Abstract

View articletitled, Structure and dynamics of intermediate benzene–argon clusters: <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">(C</mi><mrow><mi mathvariant="normal">6</mi></mrow></msub><msub xmlns=""><mi mathvariant="normal">H</mi><mrow><mi mathvariant="normal">6</mi></mrow></msub><msub xmlns=""><mi mathvariant="normal">)Ar</mi><mrow><mi>n</mi></mrow></msub><mi xmlns="">,</mi></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><mtext xmlns="">n=13–40</mtext></math>

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One-electron resonances and computed cross sections in electron scattering from the benzene molecule

F. A. Gianturco; Robert R. Lucchese

J. Chem. Phys. 108, 6144–6159 (1998) https://doi.org/10.1063/1.476024

Abstract

View articletitled, One-electron resonances and computed cross sections in electron scattering from the benzene molecule

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Experimental and quantum mechanical study of the H+D₂ reaction near 0.5 eV: The assessment of the $H_{3}$ potential energy surfaces

Luis Bañares; F. J. Aoiz; Victor J. Herrero; Michael J. D’Mello; Britta Niederjohann; Karen Seekamp-Rahn; Eckart Wrede; Ludger Schnieder

J. Chem. Phys. 108, 6160–6169 (1998) https://doi.org/10.1063/1.476060

Abstract

View articletitled, Experimental and quantum mechanical study of the H+D2 reaction near 0.5 eV: The assessment of the <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">H</mi><mrow><mn>3</mn></mrow></msub></math> potential energy surfaces

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Proton and deuteron spin-lattice relaxation times in HD–Ar mixtures: A combined experimental and theoretical study

Hassan Sabzyan; William P. Power; Frederick R. W. McCourt

J. Chem. Phys. 108, 6170–6184 (1998) https://doi.org/10.1063/1.476025

Abstract

View articletitled, Proton and deuteron spin-lattice relaxation times in HD–Ar mixtures: A combined experimental and theoretical study

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State-resolved collisional relaxation of highly vibrationally excited pyridine by ${CO}_{2} :$ Influence of a permanent dipole moment

Mark C. Wall; Brian A. Stewart; Amy S. Mullin

J. Chem. Phys. 108, 6185–6196 (1998) https://doi.org/10.1063/1.476061

Abstract

View articletitled, State-resolved collisional relaxation of highly vibrationally excited pyridine by <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">CO</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><mi xmlns="">:</mi></math> Influence of a permanent dipole moment

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Photoionization spectra and ionization energies of HSCl, HSSSH, SSCl, and HSSCl formed in the reaction system ${Cl/Cl}_{2} {/H}_{2} S$

Jürg Eberhard; Wei-Chen Chen; Chin-hui Yu; Yuan-Pern Lee; Bing-Ming Cheng

J. Chem. Phys. 108, 6197–6204 (1998) https://doi.org/10.1063/1.476026

Abstract

View articletitled, Photoionization spectra and ionization energies of HSCl, HSSSH, SSCl, and HSSCl formed in the reaction system <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">Cl/Cl</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><msub xmlns=""><mi mathvariant="normal">/H</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><mi mathvariant="normal" xmlns="">S</mi></math>

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High resolution vacuum ultraviolet pulsed field ionization photoelectron band for ${OCS}^{+} {(X}^{2} Π):$ An experimental and theoretical study

S. Stimson; M. Evans; C. Y. Ng; C.-W. Hsu; P. Heimann; C. Destandau; G. Chambaud; P. Rosmus

J. Chem. Phys. 108, 6205–6214 (1998) https://doi.org/10.1063/1.476027

Abstract

View articletitled, High resolution vacuum ultraviolet pulsed field ionization photoelectron band for <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">OCS</mi><mrow><mi mathvariant="normal">+</mi></mrow></msup><msup xmlns=""><mi>(X </mi><mrow><mn>2</mn></mrow></msup><mi xmlns="">Π):</mi></math> An experimental and theoretical study

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Vacuum ultraviolet photodissociation dynamics of acetonitrile

Masashi Moriyama; Yoshiya Tsutsui; Kenji Honma

J. Chem. Phys. 108, 6215–6221 (1998) https://doi.org/10.1063/1.476028

Abstract

View articletitled, Vacuum ultraviolet photodissociation dynamics of acetonitrile

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A quantum statistical mechanical study of the enthalpy of formation of the water dimer

Gregory K. Schenter

J. Chem. Phys. 108, 6222–6232 (1998) https://doi.org/10.1063/1.476029

Abstract

View articletitled, A quantum statistical mechanical study of the enthalpy of formation of the water dimer

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Effects of diffusion on magnetic resonance imaging of laser-polarized xenon gas

Yi-Qiao Song; Boyd M. Goodson; Bhima Sheridan; Thomas M. de Swiet; Alexander Pines

J. Chem. Phys. 108, 6233–6239 (1998) https://doi.org/10.1063/1.476030

Abstract

View articletitled, Effects of diffusion on magnetic resonance imaging of laser-polarized xenon gas

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High-resolution threshold photoelectron spectra of molecular oxygen in the 18–24 eV region

T. Tanaka; H. Yoshii; Y. Morioka; T. Hayaishi; K. Ito; R. I. Hall

J. Chem. Phys. 108, 6240–6248 (1998) https://doi.org/10.1063/1.476031

Abstract

View articletitled, High-resolution threshold photoelectron spectra of molecular oxygen in the 18–24 eV region

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Absorption spectroscopy of ${SiH}_{2}$ near 640 nm

Rafael Escribano; Alain Campargue

J. Chem. Phys. 108, 6249–6257 (1998) https://doi.org/10.1063/1.476062

Abstract

View articletitled, Absorption spectroscopy of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">SiH</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub></math> near 640 nm

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A study of the CS molecule with photoelectron spectroscopy using synchrotron radiation

John M. Dyke; Stuart D. Gamblin; Darren Haggerston; Alan Morris; Stefano Stranges; John B. West; Timothy G. Wright; Andrew E. Wright

J. Chem. Phys. 108, 6258–6265 (1998) https://doi.org/10.1063/1.476032

Abstract

View articletitled, A study of the CS molecule with photoelectron spectroscopy using synchrotron radiation

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The quantum threshold behavior of the $Na+HF$ reaction

R. Gargano; S. Crocchianti; A. Laganà; G. A. Parker

J. Chem. Phys. 108, 6266–6271 (1998) https://doi.org/10.1063/1.476033

Abstract

View articletitled, The quantum threshold behavior of the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">Na+HF</mi></math> reaction

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Two-dimensional scattering of slow molecules by laser beams

Tamar Seideman; V. Kharchenko

J. Chem. Phys. 108, 6272–6281 (1998) https://doi.org/10.1063/1.476034

Abstract

View articletitled, Two-dimensional scattering of slow molecules by laser beams

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Classical vibrational predissociation dynamics: The effects of phase-space bifurcations

A. A. Granovsky; A. V. Medvedev; A. A. Buchachenko; N. F. Stepanov

J. Chem. Phys. 108, 6282–6290 (1998) https://doi.org/10.1063/1.476035

Abstract

View articletitled, Classical vibrational predissociation dynamics: The effects of phase-space bifurcations

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Sensitive detection of nitric oxide using seeded parametric four-wave mixing

Mark J. Fernée; Peter F. Barker; Alan E. W. Knight; Halina Rubinsztein-Dunlop

J. Chem. Phys. 108, 6291–6302 (1998) https://doi.org/10.1063/1.476036

Abstract

View articletitled, Sensitive detection of nitric oxide using seeded parametric four-wave mixing

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Theoretical study of the dipole-bound anion ${(H}_{2} {O…NH}_{3})^{-}$

Piotr Skurski; Maciej Gutowski

J. Chem. Phys. 108, 6303–6311 (1998) https://doi.org/10.1063/1.476037

Abstract

View articletitled, Theoretical study of the dipole-bound anion <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">(H</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><msub xmlns=""><mi mathvariant="normal">O…NH</mi><mrow><mi mathvariant="normal">3</mi></mrow></msub><msup xmlns=""><mi mathvariant="normal">)</mi><mrow><mi mathvariant="normal">−</mi></mrow></msup></math>

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Nonstatistical bond breaking in the multiphoton ionization/dissociation of $[{Fe(CO)}_{5}]_{m} {Ar}_{n}$ clusters

S. Bililign; C. S. Feigerle; John C. Miller; M. Velegrakis

J. Chem. Phys. 108, 6312–6319 (1998) https://doi.org/10.1063/1.476038

Abstract

View articletitled, Nonstatistical bond breaking in the multiphoton ionization/dissociation of <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">[</mi><msub xmlns=""><mi mathvariant="normal">Fe(CO)</mi><mrow><mi mathvariant="normal">5</mi></mrow></msub><msub xmlns=""><mi>]</mi><mrow><mi>m</mi></mrow></msub><msub xmlns=""><mi mathvariant="normal">Ar</mi><mrow><mi>n</mi></mrow></msub></math> clusters

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Interaction of a magnetic field with the ${a′}^{3} Σ^{+} {–A}^{1} Π$ complex in CO

Thomas Sykora; C. R. Vidal

J. Chem. Phys. 108, 6320–6330 (1998) https://doi.org/10.1063/1.476064

Abstract

View articletitled, Interaction of a magnetic field with the <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi>a′</mi><mrow><mn>3</mn></mrow></msup><msup xmlns=""><mi>Σ</mi><mrow><mi>+</mi></mrow></msup><msup xmlns=""><mi>–A</mi><mrow><mn>1</mn></mrow></msup><mi xmlns="">Π</mi></math> complex in CO

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Effects of complex formation on low energy $H^{+} {+O}_{2} {(X}^{3} Σ_{g}^{-},v=0)→ {H+O}_{2}^{+} {(X}^{2} Π_{g} {,v}^{″})$ charge transfer

D. Grimbert; V. Sidis; V. Cobut

J. Chem. Phys. 108, 6331–6341 (1998) https://doi.org/10.1063/1.476039

Abstract

View articletitled, Effects of complex formation on low energy <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">H</mi><mrow><mi mathvariant="normal">+</mi></mrow></msup><msub xmlns=""><mi mathvariant="normal">+O</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><msup xmlns=""><mi>(X </mi><mrow><mn>3</mn></mrow></msup><msubsup xmlns=""><mi>Σ</mi><mrow><mi>g</mi></mrow><mrow><mi>−</mi></mrow></msubsup><mtext xmlns="">,v=0)→</mtext><msubsup xmlns=""><mi mathvariant="normal">H+O</mi><mrow><mi mathvariant="normal">2</mi></mrow><mrow><mi mathvariant="normal">+</mi></mrow></msubsup><msup xmlns=""><mi>(X </mi><mrow><mn>2</mn></mrow></msup><msub xmlns=""><mi>Π</mi><mrow><mi>g</mi></mrow></msub><msup xmlns=""><mi>,v</mi><mrow><mi>″</mi></mrow></msup><mi xmlns="">)</mi></math> charge transfer

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Microcanonical temperature and “heat capacity” computation of Lennard-Jones clusters under isoergic molecular dynamics simulation

Umesh A. Salian

J. Chem. Phys. 108, 6342–6346 (1998) https://doi.org/10.1063/1.476040

Abstract

View articletitled, Microcanonical temperature and “heat capacity” computation of Lennard-Jones clusters under isoergic molecular dynamics simulation

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CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY, REACTIONS, AND RELAXATION

Solvation dynamics: The role of hydrogen bonding

G. Sesé; J. A. Padró

J. Chem. Phys. 108, 6347–6352 (1998) https://doi.org/10.1063/1.476041

Abstract

View articletitled, Solvation dynamics: The role of hydrogen bonding

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Laser spectroscopy and crystal field analysis of ${Cm}^{3+}$ diluted in ${Cs}_{2} {NaYCl}_{6}$

K. M. Murdoch; R. Cavellec; E. Simoni; M. Karbowiak; S. Hubert; M. Illemassene; N. M. Edelstein

J. Chem. Phys. 108, 6353–6361 (1998) https://doi.org/10.1063/1.476042

Abstract

View articletitled, Laser spectroscopy and crystal field analysis of <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">Cm</mi><mrow><mi mathvariant="normal">3+</mi></mrow></msup></math> diluted in <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">Cs</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><msub xmlns=""><mi mathvariant="normal">NaYCl</mi><mrow><mi mathvariant="normal">6</mi></mrow></msub></math>

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Dispersion solute-solvent coupling in electron transfer reactions. I. Effective potential

Dmitry V. Matyushov; Branka M. Ladanyi

J. Chem. Phys. 108, 6362–6377 (1998) https://doi.org/10.1063/1.476043

Abstract

View articletitled, Dispersion solute-solvent coupling in electron transfer reactions. I. Effective potential

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An investigation of dynamical density functional theory for solvation in simple mixtures

Akira Yoshimori; Tyler J. F. Day; G. N. Patey

J. Chem. Phys. 108, 6378–6386 (1998) https://doi.org/10.1063/1.476044

Abstract

View articletitled, An investigation of dynamical density functional theory for solvation in simple mixtures

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Photoinduced electron transfer in mixed-valence compounds: Beyond the golden rule regime

D. G. Evans; A. Nitzan; M. A. Ratner

J. Chem. Phys. 108, 6387–6393 (1998) https://doi.org/10.1063/1.476045

Abstract

View articletitled, Photoinduced electron transfer in mixed-valence compounds: Beyond the golden rule regime

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X-ray natural circular dichroism in a uniaxial gyrotropic single crystal of ${LiIO}_{3}$

José Goulon; Chantal Goulon-Ginet; Andrei Rogalev; Vincent Gotte; Cécile Malgrange; Christian Brouder; Calogero R. Natoli

J. Chem. Phys. 108, 6394–6403 (1998) https://doi.org/10.1063/1.476046

Abstract

View articletitled, X-ray natural circular dichroism in a uniaxial gyrotropic single crystal of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">LiIO</mi><mrow><mi mathvariant="normal">3</mi></mrow></msub></math>

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On the spectrum and structure of the isolated $O_{4}^{-}$ anion in solid argon

G. V. Chertihin; L. Andrews

J. Chem. Phys. 108, 6404–6407 (1998) https://doi.org/10.1063/1.476047

Abstract

View articletitled, On the spectrum and structure of the isolated <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">O</mi><mrow><mi mathvariant="normal">4</mi></mrow><mrow><mi mathvariant="normal">−</mi></mrow></msubsup></math> anion in solid argon

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Dynamics of glass-forming liquids. IV. True activated behavior above 2 GHz in the dielectric α-relaxation of organic liquids

C. Hansen; F. Stickel; R. Richert; E. W. Fischer

J. Chem. Phys. 108, 6408–6415 (1998) https://doi.org/10.1063/1.476063

Abstract

View articletitled, Dynamics of glass-forming liquids. IV. True activated behavior above 2 GHz in the dielectric α-relaxation of organic liquids

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Dielectric relaxation in binary solutions: Theory and experimental results

Davide Bertolini; Mario Cassettari; Carlo Ferrari; Elpidio Tombari

J. Chem. Phys. 108, 6416–6430 (1998) https://doi.org/10.1063/1.476048

Abstract

View articletitled, Dielectric relaxation in binary solutions: Theory and experimental results

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Many-body effects in the trapping problem with a field

Yurii A. Makhnovskii; Marina E. Maslova; Alexander M. Berezhkovskii

J. Chem. Phys. 108, 6431–6440 (1998) https://doi.org/10.1063/1.476049

Abstract

View articletitled, Many-body effects in the trapping problem with a field

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SURFACES, INTERFACES, AND MATERIALS

Static structure of polydisperse colloidal monolayers

F. Lado

J. Chem. Phys. 108, 6441–6446 (1998) https://doi.org/10.1063/1.476050

Abstract

View articletitled, Static structure of polydisperse colloidal monolayers

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Molecular and dissociative chemisorption of NO on palladium and rhodium (100) and (111) surfaces: A density-functional periodic study

D. Loffreda; D. Simon; P. Sautet

J. Chem. Phys. 108, 6447–6457 (1998) https://doi.org/10.1063/1.476051

Abstract

View articletitled, Molecular and dissociative chemisorption of NO on palladium and rhodium (100) and (111) surfaces: A density-functional periodic study

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Monte Carlo simulations of the adsorption of potassium on a Cu(111) surface

Luis Padilla-Campos; Alejandro Toro-Labbé

J. Chem. Phys. 108, 6458–6465 (1998) https://doi.org/10.1063/1.476052

Abstract

View articletitled, Monte Carlo simulations of the adsorption of potassium on a Cu(111) surface

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POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS

Temperature dependence of the folding rate in a simple protein model: Search for a “glass” transition

A. Gutin; A. Sali; V. Abkevich; M. Karplus; E. I. Shakhnovich

J. Chem. Phys. 108, 6466–6483 (1998) https://doi.org/10.1063/1.476053

Abstract

View articletitled, Temperature dependence of the folding rate in a simple protein model: Search for a “glass” transition

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Orientations and phase transitions in uncrosslinked and crosslinked polymer liquid crystals

Witold Brostow; Kazimierz Hibner; Janusz Walasek

J. Chem. Phys. 108, 6484–6491 (1998) https://doi.org/10.1063/1.476054

Abstract

View articletitled, Orientations and phase transitions in uncrosslinked and crosslinked polymer liquid crystals

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Role of vibrational softening in fast dynamics of an amorphous polyimide far below $T_{g}$

J. Hansen; T. Kanaya; K. Nishida; K. Kaji; K. Tanaka; A. Yamaguchi

J. Chem. Phys. 108, 6492–6497 (1998) https://doi.org/10.1063/1.476055

Abstract

View articletitled, Role of vibrational softening in fast dynamics of an amorphous polyimide far below <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi>T</mi><mrow><mi>g</mi></mrow></msub></math>

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Equilibrium order-to-disorder transition temperature in block copolymers

G. Floudas; T. Pakula; G. Velis; S. Sioula; N. Hadjichristidis

J. Chem. Phys. 108, 6498–6501 (1998) https://doi.org/10.1063/1.476056

Abstract

View articletitled, Equilibrium order-to-disorder transition temperature in block copolymers

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Theoretical study of the sum frequency generation in molecular adsorbate: NH₃/MgO(100)

V. Pouthier; C. Ramseyer; C. Girardet

J. Chem. Phys. 108, 6502–6512 (1998) https://doi.org/10.1063/1.476057

Abstract

View articletitled, Theoretical study of the sum frequency generation in molecular adsorbate: NH3/MgO(100)

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Primitive models of chemical association. III. Totally flexible sticky two-point model for multicomponent heteronuclear fixed-chain-length polymerization

C.-T. Lin; Yu. V. Kalyuzhnyi; G. Stell

J. Chem. Phys. 108, 6513–6524 (1998) https://doi.org/10.1063/1.476058

Abstract

View articletitled, Primitive models of chemical association. III. Totally flexible sticky two-point model for multicomponent heteronuclear fixed-chain-length polymerization

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Primitive models of chemical association. IV. Polymer Percus–Yevick ideal-chain approximation for heteronuclear hard-sphere chain fluids

Yu. V. Kalyuzhnyi; C.-T. Lin; G. Stell

J. Chem. Phys. 108, 6525–6534 (1998) https://doi.org/10.1063/1.476059

Abstract

View articletitled, Primitive models of chemical association. IV. Polymer Percus–Yevick ideal-chain approximation for heteronuclear hard-sphere chain fluids

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COMMENTS

Comment on “Thermochemistry of gaseous SiO(OH), ${SiO(OH)}_{2},$ and ${SiO}_{2},”$ [J. Chem. Phys. 101, 6076 (1994)]

D. L. Hildenbrand; K. H. Lau

J. Chem. Phys. 108, 6535 (1998) https://doi.org/10.1063/1.476500

Abstract

View articletitled, Comment on “Thermochemistry of gaseous SiO(OH), <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">SiO(OH)</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><mi xmlns="">,</mi></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">SiO</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><mi xmlns="">,”</mi></math>[J. Chem. Phys. 101, 6076 (1994)]

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Issues

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

COMMENTS

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