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Site specificity in molecular hydrogen elimination from photodissociation of propane at 157 nm

S. M. Wu; J. J. Lin; Y. T. Lee; X. Yang

J. Chem. Phys. 111, 1793–1796 (1999) https://doi.org/10.1063/1.479507

Abstract

View articletitled, Site specificity in molecular hydrogen elimination from photodissociation of propane at 157 nm

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Forces between surfaces immersed in polyelectrolyte solutions

Arun Yethiraj

J. Chem. Phys. 111, 1797–1800 (1999) https://doi.org/10.1063/1.479448

Abstract

View articletitled, Forces between surfaces immersed in polyelectrolyte solutions

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THEORETICAL METHODS AND ALGORITHMS

Classical mechanics and the spreading of localized wave packets in condensed phase molecular systems

Michael F. Herman; David F. Coker

J. Chem. Phys. 111, 1801–1808 (1999) https://doi.org/10.1063/1.479449

Abstract

View articletitled, Classical mechanics and the spreading of localized wave packets in condensed phase molecular systems

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Recursion representation of gradient expansion for free fermion ground state in one dimension

L. Šamaj; J. K. Percus

J. Chem. Phys. 111, 1809–1814 (1999) https://doi.org/10.1063/1.479450

Abstract

View articletitled, Recursion representation of gradient expansion for free fermion ground state in one dimension

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A comparison of methods for the calculation of NMR chemical shifts

Thomas Gregor; Francesco Mauri; Roberto Car

J. Chem. Phys. 111, 1815–1822 (1999) https://doi.org/10.1063/1.479451

Abstract

View articletitled, A comparison of methods for the calculation of NMR chemical shifts

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Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field

Galina M. Chaban; Joon O. Jung; R. Benny Gerber

J. Chem. Phys. 111, 1823–1829 (1999) https://doi.org/10.1063/1.479452

Abstract

View articletitled, Ab initio calculation of anharmonic vibrational states of polyatomic systems: Electronic structure combined with vibrational self-consistent field

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Classical flux integrals in transition state theory: Generalized reaction coordinates

Sean C. Smith

J. Chem. Phys. 111, 1830–1842 (1999) https://doi.org/10.1063/1.479453

Abstract

View articletitled, Classical flux integrals in transition state theory: Generalized reaction coordinates

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Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

Jan M. L. Martin; Glênisson de Oliveira

J. Chem. Phys. 111, 1843–1856 (1999) https://doi.org/10.1063/1.479454

Abstract

View articletitled, Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

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Unitary group based open-shell coupled cluster theory: Application to van der Waals interactions of high-spin systems

Piotr Jankowski; Bogumil Jeziorski

J. Chem. Phys. 111, 1857–1869 (1999) https://doi.org/10.1063/1.479511

Abstract

View articletitled, Unitary group based open-shell coupled cluster theory: Application to van der Waals interactions of high-spin systems

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

Calculations of Argon broadening and shift for ${HCO}^{+}$ rotational lines at 77 K

G. Buffa; O. Tarrini; G. Cazzoli; L. Dore

J. Chem. Phys. 111, 1870–1874 (1999) https://doi.org/10.1063/1.479455

Abstract

View articletitled, Calculations of Argon broadening and shift for <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">HCO</mi><mrow><mi>+</mi></mrow></msup></math> rotational lines at 77 K

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Vibrational and rotational collisional relaxation in ${CO}_{2} –Ar$ and ${CO}_{2} –He$ mixtures studied by stimulated Raman-infrared double resonance

A. Deroussiaux; B. Lavorel

J. Chem. Phys. 111, 1875–1883 (1999) https://doi.org/10.1063/1.479456

Abstract

View articletitled, Vibrational and rotational collisional relaxation in <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 mathvariant="normal" xmlns="">–Ar</mi></math> and <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 mathvariant="normal" xmlns="">–He</mi></math> mixtures studied by stimulated Raman-infrared double resonance

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Evidence of a perpendicular component in the photodissociation of BrCN at 213 nm

Karen J. Franks; Hongzhi Li; Wei Kong

J. Chem. Phys. 111, 1884–1889 (1999) https://doi.org/10.1063/1.479457

Abstract

View articletitled, Evidence of a perpendicular component in the photodissociation of BrCN at 213 nm

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Evolution of the electronic structure and properties of neutral and charged aluminum clusters: A comprehensive analysis

B. K. Rao; P. Jena

J. Chem. Phys. 111, 1890–1904 (1999) https://doi.org/10.1063/1.479458

Abstract

View articletitled, Evolution of the electronic structure and properties of neutral and charged aluminum clusters: A comprehensive analysis

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Rotationally resolved pulsed field ionization photoelectron bands of $O_{2}^{+} {(X}^{2} Π_{1/2,3/2g} {, v}^{+} =0–38)$ in the energy range of 12.05–18.15 eV

Y. Song; M. Evans; C. Y. Ng; C.-W. Hsu; G. K. Jarvis

J. Chem. Phys. 111, 1905–1916 (1999) https://doi.org/10.1063/1.479459

Abstract

View articletitled, Rotationally resolved pulsed field ionization photoelectron bands of <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">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><mtext>1/2,3/2g</mtext></mrow></msub><msup xmlns=""><mi>, v</mi><mrow><mi>+</mi></mrow></msup><mtext xmlns="">=0–38)</mtext></math> in the energy range of 12.05–18.15 eV

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Polarizabilities and first hyperpolarizabilities of HF, Ne, and BH from full configuration interaction and coupled cluster calculations

Helena Larsen; Jeppe Olsen; Christof Hättig; Poul Jo/rgensen; Ove Christiansen; Jürgen Gauss

J. Chem. Phys. 111, 1917–1925 (1999) https://doi.org/10.1063/1.479460

Abstract

View articletitled, Polarizabilities and first hyperpolarizabilities of HF, Ne, and BH from full configuration interaction and coupled cluster calculations

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Tunneling through the potential barrier of the $B^{1} Π_{u}$ state of ${}^{7}{Li} - {}^{7}{Li}$

N. Bouloufa; P. Cacciani; R. Vetter; A. Yiannopoulou

J. Chem. Phys. 111, 1926–1936 (1999) https://doi.org/10.1063/1.479461

Abstract

View articletitled, Tunneling through the potential barrier of the <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi>B</mi><mrow><mn>1</mn></mrow></msup><msub xmlns=""><mi>Π</mi><mrow><mi>u</mi></mrow></msub></math> state of <math xmlns="http://www.w3.org/1998/Math/MathML"><mmultiscripts xmlns=""><mi mathvariant="normal">Li</mi><mprescripts></mprescripts><mtext></mtext><mn>7</mn></mmultiscripts><mi xmlns="">–</mi><mmultiscripts xmlns=""><mi mathvariant="normal">Li</mi><mprescripts></mprescripts><mtext></mtext><mn>7</mn></mmultiscripts></math>

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Rotational-resolved pulsed field ionization photoelectron study of ${NO}^{+} {(a}^{3} Σ^{+} {,v}^{+} =0–16)$ in the energy range of 15.6–18.2 eV

G. K. Jarvis; Y. Song; C. Y. Ng

J. Chem. Phys. 111, 1937–1946 (1999) https://doi.org/10.1063/1.479462

Abstract

View articletitled, Rotational-resolved pulsed field ionization photoelectron study of <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi mathvariant="normal">NO</mi><mrow><mi mathvariant="normal">+</mi></mrow></msup><msup xmlns=""><mi>(a </mi><mrow><mn>3</mn></mrow></msup><msup xmlns=""><mi>Σ</mi><mrow><mi>+</mi></mrow></msup><msup xmlns=""><mi>,v</mi><mrow><mi>+</mi></mrow></msup><mtext xmlns="">=0–16)</mtext></math> in the energy range of 15.6–18.2 eV

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Mass analyzed threshold ionization of phenol⋅CO: Intermolecular binding energies of a hydrogen-bonded complex

Stephen R. Haines; Caroline E. H. Dessent; Klaus Müller-Dethlefs

J. Chem. Phys. 111, 1947–1954 (1999) https://doi.org/10.1063/1.479463

Abstract

View articletitled, Mass analyzed threshold ionization of phenol⋅CO: Intermolecular binding energies of a hydrogen-bonded complex

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A comparison of hydrogen-bonded and van der Waals isomers of phenol⋅⋅nitrogen and phenol⋅⋅carbon monoxide: An ab initio study

Darren M. Chapman; Klaus Müller-Dethlefs; J. Barrie Peel

J. Chem. Phys. 111, 1955–1963 (1999) https://doi.org/10.1063/1.479508

Abstract

View articletitled, A comparison of hydrogen-bonded and van der Waals isomers of phenol⋅⋅nitrogen and phenol⋅⋅carbon monoxide: An ab initio study

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Theoretical determination of the absolute electron impact ionization cross-section function for silver clusters ${Ag}_{n}$ $(n=2–7)$

H. Deutsch; J. Pittner; V. Bonacic-Koutecky; K. Becker; S. Matt; T. D. Märk

J. Chem. Phys. 111, 1964–1971 (1999) https://doi.org/10.1063/1.479464

Abstract

View articletitled, Theoretical determination of the absolute electron impact ionization cross-section function for silver clusters <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">Ag</mi><mrow><mi>n</mi></mrow></msub></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><mtext xmlns="">(n=2–7)</mtext></math>

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Quantum mechanical study of the vibrational relaxation of $O_{2}^{+}$ colliding with Kr

Mark Craimer; Sergei K. Pogrebnya; David C. Clary

J. Chem. Phys. 111, 1972–1978 (1999) https://doi.org/10.1063/1.479465

Abstract

View articletitled, Quantum mechanical study of the vibrational relaxation of <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">O</mi><mrow><mn>2</mn></mrow><mrow><mi>+</mi></mrow></msubsup></math> colliding with Kr

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The application of complex absorbing potentials to an invariant embedding scattering method. II. Applications

Fermı́n Huarte-Larrañaga; Xavier Giménez; Josep M. Lucas; Antonio Aguilar

J. Chem. Phys. 111, 1979–1987 (1999) https://doi.org/10.1063/1.479466

Abstract

View articletitled, The application of complex absorbing potentials to an invariant embedding scattering method. II. Applications

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Vibrational spectrum of $B_{2} C$ in argon at 10 K

C. William Larson; José Domingo Presilla-Márquez

J. Chem. Phys. 111, 1988–1992 (1999) https://doi.org/10.1063/1.479467

Abstract

View articletitled, Vibrational spectrum of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">B</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><mi mathvariant="normal" xmlns="">C</mi></math> in argon at 10 K

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Molecular polarization in water chains

Kersti Hermansson; Maria Alfredsson

J. Chem. Phys. 111, 1993–2000 (1999) https://doi.org/10.1063/1.479468

Abstract

View articletitled, Molecular polarization in water chains

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

Classical nucleation theory for the nucleation of the solid phase of spherical particles with a short-ranged attraction

Richard P. Sear

J. Chem. Phys. 111, 2001–2007 (1999) https://doi.org/10.1063/1.479512

Abstract

View articletitled, Classical nucleation theory for the nucleation of the solid phase of spherical particles with a short-ranged attraction

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On the role of dielectric friction in vibrational energy relaxation

Branka M. Ladanyi; Richard M. Stratt

J. Chem. Phys. 111, 2008–2018 (1999) https://doi.org/10.1063/1.479469

Abstract

View articletitled, On the role of dielectric friction in vibrational energy relaxation

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Liquid-drop formalism and free-energy surfaces in binary homogeneous nucleation theory

Ari Laaksonen; Robert McGraw; Hanna Vehkamäki

J. Chem. Phys. 111, 2019–2027 (1999) https://doi.org/10.1063/1.479470

Abstract

View articletitled, Liquid-drop formalism and free-energy surfaces in binary homogeneous nucleation theory

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Structure of molten ${MCl}_{3}$ systems from a polarizable ion simulation model

Francis Hutchinson; Adrian J. Rowley; Malcolm K. Walters; Mark Wilson; Paul A. Madden; Jonathan C. Wasse; Philip S. Salmon

J. Chem. Phys. 111, 2028–2037 (1999) https://doi.org/10.1063/1.479471

Abstract

View articletitled, Structure of molten <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">MCl</mi><mrow><mn>3</mn></mrow></msub></math> systems from a polarizable ion simulation model

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Dipole and quadrupole polarization in ionic systems: Ab initio studies

Patrick J̈emmer; Mark Wilson; Paul A. Madden; Patrick W. Fowler

J. Chem. Phys. 111, 2038–2049 (1999) https://doi.org/10.1063/1.479472

Abstract

View articletitled, Dipole and quadrupole polarization in ionic systems: Ab initio studies

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A lattice model for fluids with directional interactions

Grigoriy Aranovich; Paul Donohue; Marc Donohue

J. Chem. Phys. 111, 2050–2059 (1999) https://doi.org/10.1063/1.479473

Abstract

View articletitled, A lattice model for fluids with directional interactions

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Dynamics on statistical samples of potential energy surfaces

Keith D. Ball; R. Stephen Berry

J. Chem. Phys. 111, 2060–2070 (1999) https://doi.org/10.1063/1.479474

Abstract

View articletitled, Dynamics on statistical samples of potential energy surfaces

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Ab initio calculation of elastic constants of ${SiO}_{2}$ stishovite and α-quartz

Bengt Holm; Rajeev Ahuja

J. Chem. Phys. 111, 2071–2074 (1999) https://doi.org/10.1063/1.479475

Abstract

View articletitled, Ab initio calculation of elastic constants of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">SiO</mi><mrow><mn>2</mn></mrow></msub></math> stishovite and α-quartz

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Quantum consideration of electron transfer solvent control

P. A. Frantsuzov

J. Chem. Phys. 111, 2075–2085 (1999) https://doi.org/10.1063/1.479476

Abstract

View articletitled, Quantum consideration of electron transfer solvent control

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The dynamics of proton transfer in a water chain

Raymond R. Sadeghi; Hai-Ping Cheng

J. Chem. Phys. 111, 2086–2094 (1999) https://doi.org/10.1063/1.479477

Abstract

View articletitled, The dynamics of proton transfer in a water chain

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From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in ${CO}_{2}$ clusters

Jean-Bernard Maillet; Anne Boutin; Alain H. Fuchs

J. Chem. Phys. 111, 2095–2102 (1999) https://doi.org/10.1063/1.479478

Abstract

View articletitled, From molecular clusters to bulk matter. II. Crossover from icosahedral to crystalline structures in <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">CO</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub></math> clusters

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Liquid vapor equilibria for an ab initio model for water

A. D. Mackie; J. Hernández-Cobos; L. F. Vega

J. Chem. Phys. 111, 2103–2108 (1999) https://doi.org/10.1063/1.479479

Abstract

View articletitled, Liquid vapor equilibria for an ab initio model for water

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SURFACES, INTERFACES, AND MATERIALS

Etching process of ${SiO}_{2}$ by HF molecules

T. Hoshino; Y. Nishioka

J. Chem. Phys. 111, 2109–2114 (1999) https://doi.org/10.1063/1.479480

Abstract

View articletitled, Etching process of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">SiO</mi><mrow><mn>2</mn></mrow></msub></math> by HF molecules

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Lateral interactions in coadsorbate layers: Vibrational frequency shifts

R. L. C. Wang; H. J. Kreuzer; P. Jakob; D. Menzel

J. Chem. Phys. 111, 2115–2122 (1999) https://doi.org/10.1063/1.479481

Abstract

View articletitled, Lateral interactions in coadsorbate layers: Vibrational frequency shifts

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Electron-lattice dynamics on Jahn–Teller surfaces in Ag:Xe crystals

K. Bammel; P. Dietrich; N. Schwentner

J. Chem. Phys. 111, 2123–2132 (1999) https://doi.org/10.1063/1.479482

Abstract

View articletitled, Electron-lattice dynamics on Jahn–Teller surfaces in Ag:Xe crystals

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Empirical Jahn–Teller potential surfaces for silver doped xenon matrices

P. Dietrich; N. Schwentner

J. Chem. Phys. 111, 2133–2142 (1999) https://doi.org/10.1063/1.479483

Abstract

View articletitled, Empirical Jahn–Teller potential surfaces for silver doped xenon matrices

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Modeling of zeolite L crystallization using continuum time Monte Carlo simulations

Vladimiros Nikolakis; Dionisios G. Vlachos; Michael Tsapatsis

J. Chem. Phys. 111, 2143–2150 (1999) https://doi.org/10.1063/1.479484

Abstract

View articletitled, Modeling of zeolite L crystallization using continuum time Monte Carlo simulations

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Hard core Yukawa fluid with temperature and density dependent interaction: Phase diagram of the AOT/water/decane microemulsion

M. Bouaskarne; S. Amokrane; C. Regnaut

J. Chem. Phys. 111, 2151–2156 (1999) https://doi.org/10.1063/1.479485

Abstract

View articletitled, Hard core Yukawa fluid with temperature and density dependent interaction: Phase diagram of the AOT/water/decane microemulsion

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Electronic structure of tris(8-hydroxyquinoline) aluminum thin films in the pristine and reduced states

N. Johansson; T. Osada; S. Stafström; W. R. Salaneck; V. Parente; D. A. dos Santos; X. Crispin; J. L. Brédas

J. Chem. Phys. 111, 2157–2163 (1999) https://doi.org/10.1063/1.479486

Abstract

View articletitled, Electronic structure of tris(8-hydroxyquinoline) aluminum thin films in the pristine and reduced states

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Ab Initio study of dopant insertion into carbon nanotubes

Amir A. Farajian; Kaoru Ohno; Keivan Esfarjani; Yutaka Maruyama; Yoshiyuki Kawazoe

J. Chem. Phys. 111, 2164–2168 (1999) https://doi.org/10.1063/1.479487

Abstract

View articletitled, Ab Initio study of dopant insertion into carbon nanotubes

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Oxygen adsorption on Ag(111): X-ray photoelectron spectroscopy (XPS), angular dependent x-ray photoelectron spectroscopy (ADXPS) and temperature-programmed desorption (TPD) studies

V. I. Bukhtiyarov; V. V. Kaichev; I. P. Prosvirin

J. Chem. Phys. 111, 2169–2175 (1999) https://doi.org/10.1063/1.479488

Abstract

View articletitled, Oxygen adsorption on Ag(111): X-ray photoelectron spectroscopy (XPS), angular dependent x-ray photoelectron spectroscopy (ADXPS) and temperature-programmed desorption (TPD) studies

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Melting thermodynamics of organic nanocrystals

Q. Jiang; H. X. Shi; M. Zhao

J. Chem. Phys. 111, 2176–2180 (1999) https://doi.org/10.1063/1.479489

Abstract

View articletitled, Melting thermodynamics of organic nanocrystals

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The structure of the liquid-vapor interface of a gallium-tin binary alloy

Meishan Zhao; Stuart A. Rice

J. Chem. Phys. 111, 2181–2189 (1999) https://doi.org/10.1063/1.479490

Abstract

View articletitled, The structure of the liquid-vapor interface of a gallium-tin binary alloy

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A simulation study of the kinetics of passage of ${CO}_{2}$ and $N_{2}$ through the liquid/vapor interface of water

T. Somasundaram; M. in het Panhuis; R. M. Lynden-Bell; C. H. Patterson

J. Chem. Phys. 111, 2190–2199 (1999) https://doi.org/10.1063/1.479491

Abstract

View articletitled, A simulation study of the kinetics of passage of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">CO</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">N</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub></math> through the liquid/vapor interface of water

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Photoconductivity and singlet oxygen generation in illuminated polymer in the air atmosphere

A. I. Burshtein; O. A. Igoshin

J. Chem. Phys. 111, 2200–2209 (1999) https://doi.org/10.1063/1.479492

Abstract

View articletitled, Photoconductivity and singlet oxygen generation in illuminated polymer in the air atmosphere

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A consistent correlation approach to single file diffusion with reaction

Miles S. Okino; Randall Q. Snurr; Harold H. Kung; Joshua E. Ochs; Michael L. Mavrovouniotis

J. Chem. Phys. 111, 2210–2221 (1999) https://doi.org/10.1063/1.479493

Abstract

View articletitled, A consistent correlation approach to single file diffusion with reaction

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Soft-landed ion diffusion studies on vapor-deposited hydrocarbon films

A. A. Tsekouras; M. J. Iedema; J. P. Cowin

J. Chem. Phys. 111, 2222–2234 (1999) https://doi.org/10.1063/1.479494

Abstract

View articletitled, Soft-landed ion diffusion studies on vapor-deposited hydrocarbon films

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Physical aging by periodic creep and interrupted creep experiments

Kevin M. Bernatz; Lily Giri; Sindee L. Simon; Donald J. Plazek

J. Chem. Phys. 111, 2235–2241 (1999) https://doi.org/10.1063/1.479495

Abstract

View articletitled, Physical aging by periodic creep and interrupted creep experiments

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Hydrogen bond and cooperative effect in the reactions of HOCl with HCl on water clusters

Si Chuan Xu

J. Chem. Phys. 111, 2242–2254 (1999) https://doi.org/10.1063/1.479565

Abstract

View articletitled, Hydrogen bond and cooperative effect in the reactions of HOCl with HCl on water clusters

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POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS

Adsorption of polydisperse polymer chains

Richard P. Sear

J. Chem. Phys. 111, 2255–2258 (1999) https://doi.org/10.1063/1.479496

Abstract

View articletitled, Adsorption of polydisperse polymer chains

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Phase separation of polymer blend films near patterned surfaces

L. Kielhorn; M. Muthukumar

J. Chem. Phys. 111, 2259–2269 (1999) https://doi.org/10.1063/1.479497

Abstract

View articletitled, Phase separation of polymer blend films near patterned surfaces

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Thermal and mass diffusion in a semidilute good solvent-polymer solution

K. J. Zhang; M. E. Briggs; R. W. Gammon; J. V. Sengers; J. F. Douglas

J. Chem. Phys. 111, 2270–2282 (1999) https://doi.org/10.1063/1.479498

Abstract

View articletitled, Thermal and mass diffusion in a semidilute good solvent-polymer solution

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Density functional investigation on the ferromagnetic coupling of spins in phenylenevinylene-bridged nitroxide radicals: Monomer and polymer cases

Masaki Mitani; Daisuke Yamaki; Yasunori Yoshioka; Kizashi Yamaguchi

J. Chem. Phys. 111, 2283–2294 (1999) https://doi.org/10.1063/1.479499

Abstract

View articletitled, Density functional investigation on the ferromagnetic coupling of spins in phenylenevinylene-bridged nitroxide radicals: Monomer and polymer cases

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Flow-induced swelling of poly(vinyl alcohol) gel

T. Takigawa; K. Uchida; K. Takahashi; T. Masuda

J. Chem. Phys. 111, 2295–2300 (1999) https://doi.org/10.1063/1.479500

Abstract

View articletitled, Flow-induced swelling of poly(vinyl alcohol) gel

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From polypeptide sequences to structures using Monte Carlo simulations and an optimized potential

Philippe Derreumaux

J. Chem. Phys. 111, 2301–2310 (1999) https://doi.org/10.1063/1.479501

Abstract

View articletitled, From polypeptide sequences to structures using Monte Carlo simulations and an optimized potential

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Simplified model for the analysis of interaction types in two-stranded coiled-coils

María M. Gil; Ana M. Rubio; Antonio Rey

J. Chem. Phys. 111, 2311–2321 (1999) https://doi.org/10.1063/1.479502

Abstract

View articletitled, Simplified model for the analysis of interaction types in two-stranded coiled-coils

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The isotropic–nematic transition and the phase separation of the tobacco mosaic virus particles with polysaccharide

Naohito Urakami; Masayuki Imai; Yoh Sano; Masako Takasu

J. Chem. Phys. 111, 2322–2328 (1999) https://doi.org/10.1063/1.479503

Abstract

View articletitled, The isotropic–nematic transition and the phase separation of the tobacco mosaic virus particles with polysaccharide

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Phase behavior of gradient copolymers

Aleksij Aksimentiev; Robert Hołyst

J. Chem. Phys. 111, 2329–2339 (1999) https://doi.org/10.1063/1.479504

Abstract

View articletitled, Phase behavior of gradient copolymers

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Association of diphilic chains near the solvent critical region

Yurii S. Velichko; Valentina V. Vasilevskaya; Pavel G. Khalatur; Alexei R. Khokhlov

J. Chem. Phys. 111, 2340–2344 (1999) https://doi.org/10.1063/1.479505

Abstract

View articletitled, Association of diphilic chains near the solvent critical region

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ERRATA

Erratum: “Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states” [J. Chem. Phys. 109, 10958 (1998)]

Mark Lilichenko; Anne Myers Kelley

J. Chem. Phys. 111, 2345–2346 (1999) https://doi.org/10.1063/1.479509

View articletitled, Erratum: “Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states” [J. Chem. Phys. 109, 10958 (1998)]

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Erratum: “Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118” [J. Chem. Phys. 106, 5133 (1997)]

Clinton S. Nash; Bruce E. Bursten; Walter C. Ermler

J. Chem. Phys. 111, 2347 (1999) https://doi.org/10.1063/1.479506

Abstract

View articletitled, Erratum: “Ab initio relativistic effective potentials with spin-orbit operators. VII. Am through element 118” [J. Chem. Phys. 106, 5133 (1997)]

Supplementary Material

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Issues

COMMUNICATIONS

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

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