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Theoretical Methods and Algorithms

Quasi-isotropic single-transition cross-polarization in nuclear magnetic resonance

Thomas R. Eykyn; Fabien Ferrage; Geoffrey Bodenhausen

J. Chem. Phys. 116, 10041–10050 (2002) https://doi.org/10.1063/1.1477176

Abstract

View articletitled, Quasi-isotropic single-transition cross-polarization in nuclear magnetic resonance

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Quantum-classical description of rotational diffractive scattering using Bohmian trajectories: Comparison with full quantum wave packet results

E. Gindensperger; C. Meier; J. A. Beswick; M-C. Heitz

J. Chem. Phys. 116, 10051–10059 (2002) https://doi.org/10.1063/1.1471904

Abstract

View articletitled, Quantum-classical description of rotational diffractive scattering using Bohmian trajectories: Comparison with full quantum wave packet results

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Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy

Daniel Maynau; Stefano Evangelisti; Nathalie Guihéry; Carmen J. Calzado; Jean-Paul Malrieu

J. Chem. Phys. 116, 10060–10068 (2002) https://doi.org/10.1063/1.1476312

Abstract

View articletitled, Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy

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Quantum-phase dynamics of dimer systems interacting with a two-mode squeezed coherent field

Masayoshi Nakano; Kizashi Yamaguchi

J. Chem. Phys. 116, 10069–10082 (2002) https://doi.org/10.1063/1.1471906

Abstract

View articletitled, Quantum-phase dynamics of dimer systems interacting with a two-mode squeezed coherent field

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“Coarse” stability and bifurcation analysis using stochastic simulators: Kinetic Monte Carlo examples

Alexei G. Makeev; Dimitrios Maroudas; Ioannis G. Kevrekidis

J. Chem. Phys. 116, 10083–10091 (2002) https://doi.org/10.1063/1.1476929

Abstract

View articletitled, “Coarse” stability and bifurcation analysis using stochastic simulators: Kinetic Monte Carlo examples

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Association–dissociation in solution/Long-time relaxation prediction by a mode coupling approach

Wolfgang Naumann

J. Chem. Phys. 116, 10092–10098 (2002) https://doi.org/10.1063/1.1477929

Abstract

View articletitled, Association–dissociation in solution/Long-time relaxation prediction by a mode coupling approach

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The influence of finite bandwidth excitation sources in degenerate four-wave mixing spectroscopy

Thierry A. W. Wasserman; Patrick H. Vaccaro; Bruce R. Johnson

J. Chem. Phys. 116, 10099–10121 (2002) https://doi.org/10.1063/1.1476936

Abstract

View articletitled, The influence of finite bandwidth excitation sources in degenerate four-wave mixing spectroscopy

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A highly efficient algorithm for electron repulsion integrals over relativistic four-component Gaussian-type spinors

Takeshi Yanai; Takahito Nakajima; Yasuyuki Ishikawa; Kimihiko Hirao

J. Chem. Phys. 116, 10122–10128 (2002) https://doi.org/10.1063/1.1479351

Abstract

View articletitled, A highly efficient algorithm for electron repulsion integrals over relativistic four-component Gaussian-type spinors

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Energy correction to simulation of volume polarization in reaction field theory

Daniel M. Chipman

J. Chem. Phys. 116, 10129–10138 (2002) https://doi.org/10.1063/1.1477928

Abstract

View articletitled, Energy correction to simulation of volume polarization in reaction field theory

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Varying the fraction of orbital exchange in density functional theory: Influence on nuclear magnetic resonance shielding constants

Philip J. Wilson; David J. Tozer

J. Chem. Phys. 116, 10139–10147 (2002) https://doi.org/10.1063/1.1477926

Abstract

View articletitled, Varying the fraction of orbital exchange in density functional theory: Influence on nuclear magnetic resonance shielding constants

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

Spectroscopic determination of the water dimer intermolecular potential-energy surface

N. Goldman; R. S. Fellers; M. G. Brown; L. B. Braly; C. J. Keoshian; C. Leforestier; R. J. Saykally

J. Chem. Phys. 116, 10148–10163 (2002) https://doi.org/10.1063/1.1476932

Abstract

View articletitled, Spectroscopic determination of the water dimer intermolecular potential-energy surface

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Formation of anion fragments from gas-phase glycine by low energy (0–15 eV) electron impact

Sascha Gohlke; Andrzej Rosa; Eugen Illenberger; Frank Brüning; Michael A. Huels

J. Chem. Phys. 116, 10164–10169 (2002) https://doi.org/10.1063/1.1479348

Abstract

View articletitled, Formation of anion fragments from gas-phase glycine by low energy (0–15 eV) electron impact

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Vibrational effects in a weakly-interacting quantum solvent: The CO molecule in ${}^{4}{He}$ gas and in ${}^{4}{He}$ droplets

F. Paesani; F. A. Gianturco

J. Chem. Phys. 116, 10170–10182 (2002) https://doi.org/10.1063/1.1478690

Abstract

View articletitled, Vibrational effects in a weakly-interacting quantum solvent: The CO molecule in <math xmlns="http://www.w3.org/1998/Math/MathML"><mmultiscripts xmlns=""><mi mathvariant="normal">He</mi><mtext></mtext><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>4</mn></mmultiscripts></math> gas and in <math xmlns="http://www.w3.org/1998/Math/MathML"><mmultiscripts xmlns=""><mi mathvariant="normal">He</mi><mtext></mtext><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>4</mn></mmultiscripts></math> droplets

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Dynamically localized wave packets as a tool to study the dynamics of the $LiNC ⇌ LiCN$ isomerization reaction

E. Martı́n-Fierro; F. Borondo; J. M. Gomez Llorente; R. M. Benito

J. Chem. Phys. 116, 10183–10196 (2002) https://doi.org/10.1063/1.1476935

Abstract

View articletitled, Dynamically localized wave packets as a tool to study the dynamics of the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">LiNC</mi><mi xmlns="">⇌</mi><mi mathvariant="normal" xmlns="">LiCN</mi></math> isomerization reaction

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SVRT calculation for bond-selective reaction ${H+HOD→H}_{2} +OD, HD+OH$

Xin Zhang; KeLi Han; John Z. H. Zhang

J. Chem. Phys. 116, 10197–10200 (2002) https://doi.org/10.1063/1.1478691

Abstract

View articletitled, SVRT calculation for bond-selective reaction <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">H+HOD→H</mi><mrow><mi mathvariant="normal">2</mi></mrow></msub><mi mathvariant="normal" xmlns="">+OD, HD+OH</mi></math>

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Gas phase trapped ion studies of collisionally formed ${MgC}_{60}^{+}$ complexes

R. I. Thompson; M. Welling; H. A. Schuessler; H. Walther

J. Chem. Phys. 116, 10201–10211 (2002) https://doi.org/10.1063/1.1478698

Abstract

View articletitled, Gas phase trapped ion studies of collisionally formed <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">MgC</mi><mrow><mn>60</mn></mrow><mrow><mi>+</mi></mrow></msubsup></math> complexes

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Molecules in high spin states: The millimeter and submillimeter spectrum of the MnS radical ${(X}^{6} Σ^{+})$

J. M. Thompsen; M. A. Brewster; L. M. Ziurys

J. Chem. Phys. 116, 10212–10220 (2002) https://doi.org/10.1063/1.1476931

Abstract

View articletitled, Molecules in high spin states: The millimeter and submillimeter spectrum of the MnS radical <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi>(X </mi><mrow><mn>6</mn></mrow></msup><msup xmlns=""><mi>Σ</mi><mrow><mi>+</mi></mrow></msup><mi xmlns="">)</mi></math>

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Carbon $1s$ photoelectron spectroscopy of ${CF}_{4}$ and CO: Search for chemical effects on the carbon $1s$ hole-state lifetime

Thomas X. Carroll; Knut J. Børve; Leif J. Sæthre; John D. Bozek; Edwin Kukk; Jeffrey A. Hahne; T. Darrah Thomas

J. Chem. Phys. 116, 10221–10228 (2002) https://doi.org/10.1063/1.1476933

Abstract

View articletitled, Carbon <math xmlns="http://www.w3.org/1998/Math/MathML"><mtext xmlns="">1s</mtext></math> photoelectron spectroscopy of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">CF</mi><mrow><mn>4</mn></mrow></msub></math> and CO: Search for chemical effects on the carbon <math xmlns="http://www.w3.org/1998/Math/MathML"><mtext xmlns="">1s</mtext></math> hole-state lifetime

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Fragmentation path for hydrogen atom dissociation from methoxy radical

Nicholas D. K. Petraco; Wesley D. Allen; Henry F. Schaefer, III

J. Chem. Phys. 116, 10229–10237 (2002) https://doi.org/10.1063/1.1477180

Abstract

View articletitled, Fragmentation path for hydrogen atom dissociation from methoxy radical

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Electronic structure and spectroscopic properties of electronic states of ${ScC}_{3}$ and ${ScC}_{3}^{-}$

S. Roszak; D. Majumdar; K. Balasubramanian

J. Chem. Phys. 116, 10238–10246 (2002) https://doi.org/10.1063/1.1477181

Abstract

View articletitled, Electronic structure and spectroscopic properties of electronic states of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">ScC</mi><mrow><mn>3</mn></mrow></msub></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">ScC</mi><mrow><mn>3</mn></mrow><mrow><mi>−</mi></mrow></msubsup></math>

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Cobalt–benzene cluster anions: Mass spectrometry and negative ion photoelectron spectroscopy

M. Gerhards; O. C. Thomas; J. M. Nilles; W.-J. Zheng; K. H. Bowen, Jr.

J. Chem. Phys. 116, 10247–10252 (2002) https://doi.org/10.1063/1.1477924

Abstract

View articletitled, Cobalt–benzene cluster anions: Mass spectrometry and negative ion photoelectron spectroscopy

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Experimental and theoretical study of benzene $(acetonitrile)_{n}$ clusters, $n=1–4$

M. Samy El-Shall; George M. Daly; Douglas Wright

J. Chem. Phys. 116, 10253–10266 (2002) https://doi.org/10.1063/1.1476317

Abstract

View articletitled, Experimental and theoretical study of benzene <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(</mi><mi mathvariant="normal" xmlns="">acetonitrile</mi><msub xmlns=""><mi>)</mi><mrow><mi>n</mi></mrow></msub></math> clusters, <math xmlns="http://www.w3.org/1998/Math/MathML"><mtext xmlns="">n=1–4</mtext></math>

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Double-resonance overtone photofragment spectroscopy of trans-HONO. II. State- and time-resolved dissociation and OH-product state distributions

F. Reiche; B. Abel; R. D. Beck; T. R. Rizzo

J. Chem. Phys. 116, 10267–10276 (2002) https://doi.org/10.1063/1.1471236

Abstract

View articletitled, Double-resonance overtone photofragment spectroscopy of trans-HONO. II. State- and time-resolved dissociation and OH-product state distributions

Supplementary Material

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Binding to gold(0): Accurate computational methods with application to ${AuNH}_{3}$

Nicholas A. Lambropoulos; Jeffrey R. Reimers; Noel S. Hush

J. Chem. Phys. 116, 10277–10286 (2002) https://doi.org/10.1063/1.1473197

Abstract

View articletitled, Binding to gold(0): Accurate computational methods with application to <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">AuNH</mi><mrow><mn>3</mn></mrow></msub></math>

Supplementary Material

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Spectroscopic properties of lead hexamer and its ions $({Pb}_{6},$ ${Pb}_{6}^{+},$ ${Pb}_{6}^{-})$

Cunyuan Zhao; K. Balasubramanian

J. Chem. Phys. 116, 10287–10296 (2002) https://doi.org/10.1063/1.1476311

Abstract

View articletitled, Spectroscopic properties of lead hexamer and its ions <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">(</mi><msub xmlns=""><mi mathvariant="normal">Pb</mi><mrow><mn>6</mn></mrow></msub><mi xmlns="">,</mi></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">Pb</mi><mrow><mn>6</mn></mrow><mrow><mi>+</mi></mrow></msubsup><mi xmlns="">,</mi></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">Pb</mi><mrow><mn>6</mn></mrow><mrow><mi>−</mi></mrow></msubsup><mi xmlns="">)</mi></math>

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

Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids

L. Angelani; R. Di Leonardo; G. Ruocco; A. Scala; F. Sciortino

J. Chem. Phys. 116, 10297–10306 (2002) https://doi.org/10.1063/1.1475764

Abstract

View articletitled, Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids

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HFCN open-shell isomers in solid argon. I. Spectroscopy of the ground and excited states of HFC=N radical

Eugenii Ya. Misochko; Alexander V. Akimov; Ilya U. Goldschleger; Charles A. Wight

J. Chem. Phys. 116, 10307–10317 (2002) https://doi.org/10.1063/1.1477177

Abstract

View articletitled, HFCN open-shell isomers in solid argon. I. Spectroscopy of the ground and excited states of HFC=N radical

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HFCN open-shell isomers in solid argon. II. Excited-state tunneling isomerization $HFC = N^{•} \to {FC}^{•} = NH$

Eugenii Ya. Misochko; Alexander V. Akimov; Ilya U. Goldschleger; Charles A. Wight

J. Chem. Phys. 116, 10318–10324 (2002) https://doi.org/10.1063/1.1477178

Abstract

View articletitled, HFCN open-shell isomers in solid argon. II. Excited-state tunneling isomerization <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">HFC</mi><mi xmlns="">=</mi><msup xmlns=""><mi mathvariant="normal">N</mi><mrow><mi>•</mi></mrow></msup><mi xmlns="">→</mi><msup xmlns=""><mi mathvariant="normal">FC</mi><mrow><mi>•</mi></mrow></msup><mi xmlns="">=</mi><mi mathvariant="normal" xmlns="">NH</mi></math>

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Signal interferences from turbulent spin dynamics in solution nuclear magnetic resonance spectroscopy

Susie Y. Huang; Yung-Ya Lin; Natalia Lisitza; Warren S. Warren

J. Chem. Phys. 116, 10325–10337 (2002) https://doi.org/10.1063/1.1467333

Abstract

View articletitled, Signal interferences from turbulent spin dynamics in solution nuclear magnetic resonance spectroscopy

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Rotational tunneling of ${NH}_{4}$ and ${NH}_{3} D$ and dipolar interaction in $({NH}_{3.6} D_{0.4})_{2} {PtCl}_{6}$

M. Prager; P. Schiebel; H. Grimm

J. Chem. Phys. 116, 10338–10342 (2002) https://doi.org/10.1063/1.1477185

Abstract

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The dynamics of ${ND}_{4}^{+}$ and ${NH}_{3} D^{+}$ groups in ammonium persulphate studied by deuteron nuclear magnetic resonance. I. Tunneling and stochastic reorientations at low temperatures

Z. Olejniczak; Z. T. Lalowicz; T. Schmidt; H. Zimmermann; U. Haeberlen; H. Schmitt

J. Chem. Phys. 116, 10343–10355 (2002) https://doi.org/10.1063/1.1476698

Abstract

View articletitled, The dynamics of <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">ND</mi><mrow><mn>4</mn></mrow><mrow><mi>+</mi></mrow></msubsup></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">NH</mi><mrow><mn>3</mn></mrow></msub><msup xmlns=""><mi mathvariant="normal">D</mi><mrow><mi>+</mi></mrow></msup></math> groups in ammonium persulphate studied by deuteron nuclear magnetic resonance. I. Tunneling and stochastic reorientations at low temperatures

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Computer modeling of disordered molecular solids: Six-state model of glassy crystal cyanoadamantane

Robert Fabiański; Lucyna Firlej; Bogdan Kuchta

J. Chem. Phys. 116, 10356–10360 (2002) https://doi.org/10.1063/1.1478769

Abstract

View articletitled, Computer modeling of disordered molecular solids: Six-state model of glassy crystal cyanoadamantane

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Vibrational spectra of halobenzene cations in the ground and $B̃^{2} B_{2}$ electronic states obtained by one-photon mass-analyzed threshold ionization spectrometry

Chan Ho Kwon; Hong Lae Kim; Myung Soo Kim

J. Chem. Phys. 116, 10361–10371 (2002) https://doi.org/10.1063/1.1478695

Abstract

View articletitled, Vibrational spectra of halobenzene cations in the ground and <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="normal" xmlns="">B̃</mi><msup xmlns=""><mi> </mi><mrow><mn>2</mn></mrow></msup><msub xmlns=""><mi mathvariant="normal">B</mi><mrow><mn>2</mn></mrow></msub></math> electronic states obtained by one-photon mass-analyzed threshold ionization spectrometry

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Car–Parrinello molecular dynamics simulation of liquid water: New results

Sergei Izvekov; Gregory A. Voth

J. Chem. Phys. 116, 10372–10376 (2002) https://doi.org/10.1063/1.1473659

Abstract

View articletitled, Car–Parrinello molecular dynamics simulation of liquid water: New results

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Dielectric relaxation and underlying dynamics of acetonitrile and 1-ethyl-3-methylimidazolium triflate mixtures using THz transmission spectroscopy

M. L. T. Asaki; A. Redondo; T. A. Zawodzinski; A. J. Taylor

J. Chem. Phys. 116, 10377–10385 (2002) https://doi.org/10.1063/1.1451054

Abstract

View articletitled, Dielectric relaxation and underlying dynamics of acetonitrile and 1-ethyl-3-methylimidazolium triflate mixtures using THz transmission spectroscopy

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Relaxation dynamics in plastic crystals

R. Brand; P. Lunkenheimer; A. Loidl

J. Chem. Phys. 116, 10386–10401 (2002) https://doi.org/10.1063/1.1477186

Abstract

View articletitled, Relaxation dynamics in plastic crystals

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Surfaces, Interfaces, and Materials

${CF}_{3} I$ on a silicon surface: Adsorption, temperature-programmed desorption, and electron-stimulated desorption

Jason E. Sanabia; John H. Moore; John A. Tossell

J. Chem. Phys. 116, 10402–10410 (2002) https://doi.org/10.1063/1.1477190

Abstract

View articletitled, <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">CF</mi><mrow><mi mathvariant="normal">3</mi></mrow></msub><mi mathvariant="normal" xmlns="">I</mi></math> on a silicon surface: Adsorption, temperature-programmed desorption, and electron-stimulated desorption

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Structural sensing using fluorescence nanotomography

Olaf J. Rolinski; David J. S. Birch

J. Chem. Phys. 116, 10411–10418 (2002) https://doi.org/10.1063/1.1479720

Abstract

View articletitled, Structural sensing using fluorescence nanotomography

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Efficiency of the π conjugation in a novel family of α,α^′-bisphenyl end-capped oligothiophenes by means of Raman spectroscopy

C. Moreno Castro; M. C. Ruiz Delgado; V. Hernández; S. Hotta; J. Casado; J. T. López Navarrete

J. Chem. Phys. 116, 10419–10427 (2002) https://doi.org/10.1063/1.1479724

Abstract

View articletitled, Efficiency of the π conjugation in a novel family of α,α′-bisphenyl end-capped oligothiophenes by means of Raman spectroscopy

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Ultraviolet–visible and infrared spectroscopic study of Langmuir–Blogett films of a charge transfer complex based on 2-dodecyl-7,7,8,8-tetracyanoquinodimethane and copper

Tapas Pal Majumder; Keiichi Ikegami

J. Chem. Phys. 116, 10428–10434 (2002) https://doi.org/10.1063/1.1479715

Abstract

View articletitled, Ultraviolet–visible and infrared spectroscopic study of Langmuir–Blogett films of a charge transfer complex based on 2-dodecyl-7,7,8,8-tetracyanoquinodimethane and copper

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Bimetallic Ag–Au nanoparticles: Extracting meaningful optical constants from the surface-plasmon extinction spectrum

M. Moskovits; I. Srnová-Šloufová; B. Vlčková

J. Chem. Phys. 116, 10435–10446 (2002) https://doi.org/10.1063/1.1449943

Abstract

View articletitled, Bimetallic Ag–Au nanoparticles: Extracting meaningful optical constants from the surface-plasmon extinction spectrum

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Charge transfer in hyperthermal surface collisions of $C_{60}^{}$ and $C_{60}^{-} :$ Experiment and model calculations

A. Bekkerman; B. Tsipinyuk; E. Kolodney

J. Chem. Phys. 116, 10447–10457 (2002) https://doi.org/10.1063/1.1477187

Abstract

View articletitled, Charge transfer in hyperthermal surface collisions of <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">C</mi><mrow><mn>60</mn></mrow><mrow><mn></mn></mrow></msubsup></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi mathvariant="normal">C</mi><mrow><mn>60</mn></mrow><mrow><mi>−</mi></mrow></msubsup><mi xmlns="">:</mi></math> Experiment and model calculations

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Tuning surface morphologies of ion-assisted diamondlike carbon film on the nanometer scale

X. D. Zhu; H. Naramoto; Y. Xu; K. Narumi; K. Miyashita

J. Chem. Phys. 116, 10458–10461 (2002) https://doi.org/10.1063/1.1473827

Abstract

View articletitled, Tuning surface morphologies of ion-assisted diamondlike carbon film on the nanometer scale

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Crystal structures of polymerized fullerides ${AC}_{60},$ A=K, Rb, Cs, and alkali-mediated interactions

B. Verberck; K. H. Michel; A. V. Nikolaev

J. Chem. Phys. 116, 10462–10474 (2002) https://doi.org/10.1063/1.1475745

Abstract

View articletitled, Crystal structures of polymerized fullerides <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">AC</mi><mrow><mi mathvariant="normal">60</mi></mrow></msub><mi xmlns="">,</mi></math> A=K, Rb, Cs, and alkali-mediated interactions

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Polymers, Biopolymers, and Complex Systems

Liquid-state theory derivation of surface accessible solvation potential models for proteins

Karl F. Freed

J. Chem. Phys. 116, 10475–10477 (2002) https://doi.org/10.1063/1.1477453

Abstract

View articletitled, Liquid-state theory derivation of surface accessible solvation potential models for proteins

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Molecular theory of hydrophobic mismatch between lipids and peptides

Daniel Duque; Xiao-jun Li; Kirill Katsov; M. Schick

J. Chem. Phys. 116, 10478–10484 (2002) https://doi.org/10.1063/1.1477927

Abstract

View articletitled, Molecular theory of hydrophobic mismatch between lipids and peptides

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A three-dimensional polymer growth model

Marc Vogt; Rigoberto Hernandez

J. Chem. Phys. 116, 10485–10491 (2002) https://doi.org/10.1063/1.1477455

Abstract

View articletitled, A three-dimensional polymer growth model

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Residual dipolar coupling for the assessment of cross-link density changes in γ-irradiated silica-PDMS composite materials

Robert S. Maxwell; Bryan Balazs

J. Chem. Phys. 116, 10492–10502 (2002) https://doi.org/10.1063/1.1477184

Abstract

View articletitled, Residual dipolar coupling for the assessment of cross-link density changes in γ-irradiated silica-PDMS composite materials

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Spectroscopic investigation of the different long-lived photoexcitations in a polythiophene

Carsten Rothe; Susanne Hintschich; Andy P. Monkman; Mattias Svensson; Mats R. Anderson

J. Chem. Phys. 116, 10503–10507 (2002) https://doi.org/10.1063/1.1478768

Abstract

View articletitled, Spectroscopic investigation of the different long-lived photoexcitations in a polythiophene

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Self-assembly of star block copolymers by dynamic density functional theory

Xuehao He; Lei Huang; Haojun Liang; Caiyuan Pan

J. Chem. Phys. 116, 10508–10513 (2002) https://doi.org/10.1063/1.1479139

Abstract

View articletitled, Self-assembly of star block copolymers by dynamic density functional theory

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Self-consistent effective interactions in charged colloidal suspensions

Juan A. Anta; Santiago Lago

J. Chem. Phys. 116, 10514–10522 (2002) https://doi.org/10.1063/1.1479140

Abstract

View articletitled, Self-consistent effective interactions in charged colloidal suspensions

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The mobility and diffusivity of a knotted polymer: Topological deformation effect

Yu-Jane Sheng; Heng-Kwong Tsao

J. Chem. Phys. 116, 10523–10528 (2002) https://doi.org/10.1063/1.1478772

Abstract

View articletitled, The mobility and diffusivity of a knotted polymer: Topological deformation effect

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Measurement of the full shear-induced self-diffusion tensor of noncolloidal suspensions

V. Breedveld; D. van den Ende; M. Bosscher; R. J. J. Jongschaap; J. Mellema

J. Chem. Phys. 116, 10529–10535 (2002) https://doi.org/10.1063/1.1478770

Abstract

View articletitled, Measurement of the full shear-induced self-diffusion tensor of noncolloidal suspensions

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Determination of temperature dependent structure evolution by fast-Fourier transform at late stage spinodal decomposition in bicontinuous biopolymer mixtures

Niklas Lorén; Maud Langton; Anne-Marie Hermansson

J. Chem. Phys. 116, 10536–10546 (2002) https://doi.org/10.1063/1.1474583

Abstract

View articletitled, Determination of temperature dependent structure evolution by fast-Fourier transform at late stage spinodal decomposition in bicontinuous biopolymer mixtures

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Density profiles and surface tension of polymers near colloidal surfaces

A. A. Louis; P. G. Bolhuis; E. J. Meijer; J. P. Hansen

J. Chem. Phys. 116, 10547–10556 (2002) https://doi.org/10.1063/1.1473658

Abstract

View articletitled, Density profiles and surface tension of polymers near colloidal surfaces

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LETTERS TO THE EDITOR

Errata

Erratum: “All optical triple resonance spectroscopy of the $A^{1} Σ_{u}^{+}$ state of ${}^{7}{Li}_{2} ”$ [J. Chem. Phys. 104, 2813 (1996)]

K. Urbanski; S. Antonova; A. Yiannopoulou; A. M. Lyyra; Li Li; W. C. Stwalley

J. Chem. Phys. 116, 10557 (2002) https://doi.org/10.1063/1.1478694

View articletitled, Erratum: “All optical triple resonance spectroscopy of the <math xmlns="http://www.w3.org/1998/Math/MathML"><msup xmlns=""><mi>A</mi><mrow><mn>1</mn></mrow></msup><msubsup xmlns=""><mi mathvariant="normal">Σ</mi><mrow><mi>u</mi></mrow><mrow><mi>+</mi></mrow></msubsup></math> state of <math xmlns="http://www.w3.org/1998/Math/MathML"><mmultiscripts xmlns=""><mi mathvariant="normal">Li</mi><mn>2</mn><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>7</mn></mmultiscripts><mi xmlns="">”</mi></math> [J. Chem. Phys. 104, 2813 (1996)]

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Erratum: “An accurate MGGA-based hybrid exchange-correlation functional” [J. Chem. Phys. 116, 2335 (2002)]

Jianmin Tao

J. Chem. Phys. 116, 10557 (2002) https://doi.org/10.1063/1.1479350

View articletitled, Erratum: “An accurate MGGA-based hybrid exchange-correlation functional” [J. Chem. Phys. 116, 2335 (2002)]

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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

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