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Wavelength-dependent fragmentation and clustering observed after femtosecond laser ablation of solid $C_{60}$

T. Kobayashi; T. Kato; Y. Matsuo; M. Kurata-Nishimura; Y. Hayashizaki; J. Kawai

J. Chem. Phys. 127, 111101 (2007) https://doi.org/10.1063/1.2772243

Abstract

View articletitled, Wavelength-dependent fragmentation and clustering observed after femtosecond laser ablation of solid <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi>C</mi><mn>60</mn></msub></math>

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Intriguing relations of interaction energy components in stacked nucleic acids

Karol M. Langner; W. Andrzej Sokalski; J. Leszczynski

J. Chem. Phys. 127, 111102 (2007) https://doi.org/10.1063/1.2786983

Abstract

View articletitled, Intriguing relations of interaction energy components in stacked nucleic acids

Supplementary Material

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Hyper-Raman scattering enhanced by anisotropic dimer plasmons on artificial nanostructures

Katsuyoshi Ikeda; Mai Takase; Yoshitaka Sawai; Hideki Nabika; Kei Murakoshi; Kohei Uosaki

J. Chem. Phys. 127, 111103 (2007) https://doi.org/10.1063/1.2786982

Abstract

View articletitled, Hyper-Raman scattering enhanced by anisotropic dimer plasmons on artificial nanostructures

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Multicarrier recombination in colloidal quantum dots

Anshu Pandey; Philippe Guyot-Sionnest

J. Chem. Phys. 127, 111104 (2007) https://doi.org/10.1063/1.2786068

Abstract

View articletitled, Multicarrier recombination in colloidal quantum dots

Supplementary Material

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Fluorescence intermittency of silicon nanocrystals and other quantum dots: A unified two-dimensional diffusion-controlled reaction model

Jau Tang

J. Chem. Phys. 127, 111105 (2007) https://doi.org/10.1063/1.2786070

Abstract

View articletitled, Fluorescence intermittency of silicon nanocrystals and other quantum dots: A unified two-dimensional diffusion-controlled reaction model

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Direct approach for the electron transport through molecules

Diego O. Ortiz; Jorge M. Seminario

J. Chem. Phys. 127, 111106 (2007) https://doi.org/10.1063/1.2781386

Abstract

View articletitled, Direct approach for the electron transport through molecules

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ARTICLES

Theoretical Methods and Algorithms

Time-dependent density functional theory for nonlinear properties of open-shell systems

Zilvinas Rinkevicius; Prakash Chandra Jha; Corneliu I. Oprea; Olav Vahtras; Hans Ågren

J. Chem. Phys. 127, 114101 (2007) https://doi.org/10.1063/1.2768357

Abstract

View articletitled, Time-dependent density functional theory for nonlinear properties of open-shell systems

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Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution

Elaine R. Chan; Alberto Striolo; Clare McCabe; Peter T. Cummings; Sharon C. Glotzer

J. Chem. Phys. 127, 114102 (2007) https://doi.org/10.1063/1.2753493

Abstract

View articletitled, Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution

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Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster method

Jiří Pittner; Jan Šmydke

J. Chem. Phys. 127, 114103 (2007) https://doi.org/10.1063/1.2770705

Abstract

View articletitled, Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster method

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Optimized effective potential method: Is it possible to obtain an accurate representation of the response function for finite orbital basis sets?

Christian Kollmar; Michael Filatov

J. Chem. Phys. 127, 114104 (2007) https://doi.org/10.1063/1.2777144

Abstract

View articletitled, Optimized effective potential method: Is it possible to obtain an accurate representation of the response function for finite orbital basis sets?

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Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

Joost VandeVondele; Jürg Hutter

J. Chem. Phys. 127, 114105 (2007) https://doi.org/10.1063/1.2770708

Abstract

View articletitled, Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

Supplementary Material

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Treatment of charge singularities in implicit solvent models

Weihua Geng; Sining Yu; Guowei Wei

J. Chem. Phys. 127, 114106 (2007) https://doi.org/10.1063/1.2768064

Abstract

View articletitled, Treatment of charge singularities in implicit solvent models

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Unbiased auxiliary basis sets for accurate two-electron integral approximations

Francesco Aquilante; Roland Lindh; Thomas Bondo Pedersen

J. Chem. Phys. 127, 114107 (2007) https://doi.org/10.1063/1.2777146

Abstract

View articletitled, Unbiased auxiliary basis sets for accurate two-electron integral approximations

Supplementary Material

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Grid-free density functional calculations on periodic systems

Štefan Varga

J. Chem. Phys. 127, 114108 (2007) https://doi.org/10.1063/1.2768358

Abstract

View articletitled, Grid-free density functional calculations on periodic systems

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Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling

Chantal Valeriani; Rosalind J. Allen; Marco J. Morelli; Daan Frenkel; Pieter Rein ten Wolde

J. Chem. Phys. 127, 114109 (2007) https://doi.org/10.1063/1.2767625

Abstract

View articletitled, Computing stationary distributions in equilibrium and nonequilibrium systems with forward flux sampling

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

Role of van der Waals resonances in the vibrational relaxation of HF by collisions with H atoms

Liang Tao; Millard H. Alexander

J. Chem. Phys. 127, 114301 (2007) https://doi.org/10.1063/1.2766716

Abstract

View articletitled, Role of van der Waals resonances in the vibrational relaxation of HF by collisions with H atoms

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Electronic states of neutral and cationic bis(benzene) titanium and vanadium sandwich complexes studied by pulsed field ionization electron spectroscopy

Bradford R. Sohnlein; Yuxiu Lei; Dong-Sheng Yang

J. Chem. Phys. 127, 114302 (2007) https://doi.org/10.1063/1.2771158

Abstract

View articletitled, Electronic states of neutral and cationic bis(benzene) titanium and vanadium sandwich complexes studied by pulsed field ionization electron spectroscopy

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Photodissociation of alkyl iodides in helium nanodroplets. I. Kinetic energy transfer

Andreas Braun; Marcel Drabbels

J. Chem. Phys. 127, 114303 (2007) https://doi.org/10.1063/1.2767261

Abstract

View articletitled, Photodissociation of alkyl iodides in helium nanodroplets. I. Kinetic energy transfer

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Photodissociation of alkyl iodides in helium nanodroplets. II. Solvation dynamics

Andreas Braun; Marcel Drabbels

J. Chem. Phys. 127, 114304 (2007) https://doi.org/10.1063/1.2767262

Abstract

View articletitled, Photodissociation of alkyl iodides in helium nanodroplets. II. Solvation dynamics

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Photodissociation of alkyl iodides in helium nanodroplets. III. Recombination

Andreas Braun; Marcel Drabbels

J. Chem. Phys. 127, 114305 (2007) https://doi.org/10.1063/1.2767263

Abstract

View articletitled, Photodissociation of alkyl iodides in helium nanodroplets. III. Recombination

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Preferential attachment during the evolution of a potential energy landscape

Claire P. Massen; Jonathan P. K. Doye

J. Chem. Phys. 127, 114306 (2007) https://doi.org/10.1063/1.2773721

Abstract

View articletitled, Preferential attachment during the evolution of a potential energy landscape

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IR signature of the photoionization-induced $hydrophobic \to hydrophilic$ site switching in phenol- ${Ar}_{n}$ clusters

Shun-ichi Ishiuchi; Makoto Sakai; Yuji Tsuchida; Akihiro Takeda; Yasutake Kawashima; Otto Dopfer; Klaus Müller-Dethlefs; Masaaki Fujii

J. Chem. Phys. 127, 114307 (2007) https://doi.org/10.1063/1.2775935

Abstract

View articletitled, IR signature of the photoionization-induced <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mtext>hydrophobic</mtext><mo>→</mo><mtext>hydrophilic</mtext></mrow></math> site switching in phenol-<math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">Ar</mi><mi>n</mi></msub></math> clusters

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Speed dependent rotational angular momentum polarization of the $O_{2}$ $(a {}^{1}Δ_{g})$ fragment following ozone photolysis in the wavelength range $248 - 265 nm$

S. J. Horrocks; G. A. D. Ritchie; T. R. Sharples

J. Chem. Phys. 127, 114308 (2007) https://doi.org/10.1063/1.2775453

Abstract

View articletitled, Speed dependent rotational angular momentum polarization of the <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">O</mi><mn>2</mn></msub></math> <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mo>(</mo><mi>a</mi><mspace width="0.2em"></mspace><mmultiscripts><mi>Δ</mi><mi>g</mi><mtext></mtext><mprescripts></mprescripts><mtext></mtext><mn>1</mn></mmultiscripts><mo>)</mo></mrow></math> fragment following ozone photolysis in the wavelength range <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mn>248</mn><mo>–</mo><mn>265</mn><mspace width="0.3em"></mspace><mi>nm</mi></mrow></math>

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Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: Application to the intramolecular hydrogen transfer in pentadiene

Jiří Vaníček; William H. Miller

J. Chem. Phys. 127, 114309 (2007) https://doi.org/10.1063/1.2768930

Abstract

View articletitled, Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: Application to the intramolecular hydrogen transfer in pentadiene

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Rovibrational energy transfer in $ortho - H_{2} + para - H_{2}$ collisions

Aditya N. Panda; Frank Otto; Fabien Gatti; Hans-Dieter Meyer

J. Chem. Phys. 127, 114310 (2007) https://doi.org/10.1063/1.2776266

Abstract

View articletitled, Rovibrational energy transfer in <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="italic">ortho</mi><mtext>-</mtext><msub><mi mathvariant="normal">H</mi><mn>2</mn></msub><mo>+</mo><mi mathvariant="italic">para</mi><mtext>-</mtext><msub><mi mathvariant="normal">H</mi><mn>2</mn></msub></mrow></math> collisions

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Infrared spectroscopy of anionic hydrated fluorobenzenes

Holger Schneider; Kristen M. Vogelhuber; J. Mathias Weber

J. Chem. Phys. 127, 114311 (2007) https://doi.org/10.1063/1.2768348

Abstract

View articletitled, Infrared spectroscopy of anionic hydrated fluorobenzenes

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Photoelectron spectroscopy of hydrated hexafluorobenzene anions

Soren N. Eustis; Di Wang; Kit H. Bowen; G. Naresh Patwari

J. Chem. Phys. 127, 114312 (2007) https://doi.org/10.1063/1.2768349

Abstract

View articletitled, Photoelectron spectroscopy of hydrated hexafluorobenzene anions

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Vibronic structure in $C_{2} H$ and $C_{2} D$ from anion slow electron velocity-map imaging spectroscopy

Jia Zhou; Etienne Garand; Daniel M. Neumark

J. Chem. Phys. 127, 114313 (2007) https://doi.org/10.1063/1.2768932

Abstract

View articletitled, Vibronic structure in <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">C</mi><mn>2</mn></msub><mi mathvariant="normal">H</mi></mrow></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">C</mi><mn>2</mn></msub><mi mathvariant="normal">D</mi></mrow></math> from anion slow electron velocity-map imaging spectroscopy

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Significant increase in the stability of rare gas hydrides on insertion of beryllium atom

T. Jayasekharan; Tapan K. Ghanty

J. Chem. Phys. 127, 114314 (2007) https://doi.org/10.1063/1.2768936

Abstract

View articletitled, Significant increase in the stability of rare gas hydrides on insertion of beryllium atom

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$H_{2} S$ ultrafast dissociation probed by energy-selected resonant Auger electron–ion coincidence measurements

K. Le Guen; C. Miron; D. Céolin; R. Guillemin; N. Leclercq; M. Simon; P. Morin; A. Mocellin; O. Björneholm; A. Naves de Brito; S. L. Sorensen

J. Chem. Phys. 127, 114315 (2007) https://doi.org/10.1063/1.2776265

Abstract

View articletitled, <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">H</mi><mn>2</mn></msub><mi mathvariant="normal">S</mi></mrow></math> ultrafast dissociation probed by energy-selected resonant Auger electron–ion coincidence measurements

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Accurate ab initio potentials at low cost via correlation scaling and extrapolation: Application to $CO (A {}^{1}Π)$

A. J. C. Varandas

J. Chem. Phys. 127, 114316 (2007) https://doi.org/10.1063/1.2768356

Abstract

View articletitled, Accurate ab initio potentials at low cost via correlation scaling and extrapolation: Application to <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi>CO</mi><mrow><mo>(</mo><mi>A</mi><mspace width="0.2em"></mspace><mmultiscripts><mi>Π</mi><mprescripts></mprescripts><mtext></mtext><mn>1</mn></mmultiscripts><mo>)</mo></mrow></mrow></math>

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Interpretation of the vibrational relaxation of $H_{2}$ in $H_{2}$ within the semiclassical effective mass approach

E. I. Dashevskaya; I. Litvin; E. E. Nikitin; J. Troe

J. Chem. Phys. 127, 114317 (2007) https://doi.org/10.1063/1.2766949

Abstract

View articletitled, Interpretation of the vibrational relaxation of <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">H</mi><mn>2</mn></msub></math> in <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">H</mi><mn>2</mn></msub></math> within the semiclassical effective mass approach

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Dalitz plot analysis of Coulomb exploding $O_{3}$ in ultrashort intense laser fields

Akitaka Matsuda; Eiji J. Takahashi; Akiyoshi Hishikawa

J. Chem. Phys. 127, 114318 (2007) https://doi.org/10.1063/1.2766718

Abstract

View articletitled, Dalitz plot analysis of Coulomb exploding <math xmlns="http://www.w3.org/1998/Math/MathML"><msub xmlns=""><mi mathvariant="normal">O</mi><mn>3</mn></msub></math> in ultrashort intense laser fields

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Quantum state resolved scattering dynamics of $F + H Cl \to H F (v, J) + Cl$

A. M. Zolot; D. J. Nesbitt

J. Chem. Phys. 127, 114319 (2007) https://doi.org/10.1063/1.2770464

Abstract

View articletitled, Quantum state resolved scattering dynamics of <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">F</mi><mo>+</mo><mi mathvariant="normal">H</mi><mi mathvariant="normal">Cl</mi><mo>→</mo><mi mathvariant="normal">H</mi><mi mathvariant="normal">F</mi><mrow><mo>(</mo><mi>v</mi><mo>,</mo><mi>J</mi><mo>)</mo></mrow><mo>+</mo><mi mathvariant="normal">Cl</mi></mrow></math>

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Rotational spectra of vibrationally excited CCH and CCD

T. C. Killian; C. A. Gottlieb; P. Thaddeus

J. Chem. Phys. 127, 114320 (2007) https://doi.org/10.1063/1.2768927

Abstract

View articletitled, Rotational spectra of vibrationally excited CCH and CCD

Supplementary Material

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

New statistical mechanical model for calculating Kirkwood factors in self-associating liquid systems and its application to $alkanol + cyclohexane$ mixtures

Tatiana Vasiltsova; Andreas Heintz

J. Chem. Phys. 127, 114501 (2007) https://doi.org/10.1063/1.2756839

Abstract

View articletitled, New statistical mechanical model for calculating Kirkwood factors in self-associating liquid systems and its application to <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mtext>alkanol</mtext><mo>+</mo><mtext>cyclohexane</mtext></mrow></math> mixtures

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Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational bases

Craig T. Chapman; Jeffrey A. Cina

J. Chem. Phys. 127, 114502 (2007) https://doi.org/10.1063/1.2754270

Abstract

View articletitled, Semiclassical treatments for small-molecule dynamics in low-temperature crystals using fixed and adiabatic vibrational bases

Supplementary Material

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Pulsed electron nuclear double resonance studies of the photoexcited triplet state of pentacene in $p$ -terphenyl crystals at room temperature

Tomoaki Yago; Gerhard Link; Gerd Kothe; Tien-Sung Lin

J. Chem. Phys. 127, 114503 (2007) https://doi.org/10.1063/1.2771145

Abstract

View articletitled, Pulsed electron nuclear double resonance studies of the photoexcited triplet state of pentacene in <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">p</mi></math>-terphenyl crystals at room temperature

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Nucleation versus spinodal decomposition in confined binary solutions

Alexander S. Abyzov; Jürn W. P. Schmelzer

J. Chem. Phys. 127, 114504 (2007) https://doi.org/10.1063/1.2774989

Abstract

View articletitled, Nucleation versus spinodal decomposition in confined binary solutions

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Contribution of rotational diffusion to pulsed field gradient diffusion measurements

Andrew J. Baldwin; John Christodoulou; Paul D. Barker; Christopher M. Dobson; Guy Lippens

J. Chem. Phys. 127, 114505 (2007) https://doi.org/10.1063/1.2759211

Abstract

View articletitled, Contribution of rotational diffusion to pulsed field gradient diffusion measurements

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Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systems

Jian Liu; William H. Miller

J. Chem. Phys. 127, 114506 (2007) https://doi.org/10.1063/1.2774990

Abstract

View articletitled, Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systems

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New experimental evidence about secondary processes in phenylphthalein-dimethylether and $1, 1^{'}$ -bis(⁠ $p$ -methoxyphenyl)cyclohexane

D. Prevosto; S. Sharifi; S. Capaccioli; P. A. Rolla; S. Hensel-Bielowka; M. Paluch

J. Chem. Phys. 127, 114507 (2007) https://doi.org/10.1063/1.2771169

Abstract

View articletitled, New experimental evidence about secondary processes in phenylphthalein-dimethylether and <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mn>1</mn><mo>,</mo><msup><mn>1</mn><mo>′</mo></msup></mrow></math>-bis(⁠<math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">p</mi></math>-methoxyphenyl)cyclohexane

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Heterogeneous dynamics and dynamic heterogeneities at the glass transition probed with single molecule spectroscopy

Aashish N. Adhikari; Noah A. Capurso; Dieter Bingemann

J. Chem. Phys. 127, 114508 (2007) https://doi.org/10.1063/1.2768955

Abstract

View articletitled, Heterogeneous dynamics and dynamic heterogeneities at the glass transition probed with single molecule spectroscopy

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Infrared spectroscopy of aqueous ionic salt mixtures at low concentrations: Ion pairing in water

Jean-Joseph Max; Camille Chapados

J. Chem. Phys. 127, 114509 (2007) https://doi.org/10.1063/1.2764485

Abstract

View articletitled, Infrared spectroscopy of aqueous ionic salt mixtures at low concentrations: Ion pairing in water

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Refined potential model for atomistic simulations of ionic liquid $[bmim] [P F_{6}]$

B. L. Bhargava; S. Balasubramanian

J. Chem. Phys. 127, 114510 (2007) https://doi.org/10.1063/1.2772268

Abstract

View articletitled, Refined potential model for atomistic simulations of ionic liquid <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mo>[</mo><mi>bmim</mi><mo>]</mo></mrow><mrow xmlns=""><mo>[</mo><mi mathvariant="normal">P</mi><msub><mi mathvariant="normal">F</mi><mn>6</mn></msub><mo>]</mo></mrow></math>

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Cutoff radius effect of isotropic periodic sum method for transport coefficients of Lennard-Jones liquid

Kazuaki Takahashi; Kenji Yasuoka; Tetsu Narumi

J. Chem. Phys. 127, 114511 (2007) https://doi.org/10.1063/1.2775929

Abstract

View articletitled, Cutoff radius effect of isotropic periodic sum method for transport coefficients of Lennard-Jones liquid

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Amorphous silica modeled with truncated and screened Coulomb interactions: A molecular dynamics simulation study

Antoine Carré; Ludovic Berthier; Jürgen Horbach; Simona Ispas; Walter Kob

J. Chem. Phys. 127, 114512 (2007) https://doi.org/10.1063/1.2777136

Abstract

View articletitled, Amorphous silica modeled with truncated and screened Coulomb interactions: A molecular dynamics simulation study

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Direct identification and decongestion of Fermi resonances by control of pulse time ordering in two-dimensional IR spectroscopy

Paul M. Donaldson; Rui Guo; Frederic Fournier; Elizabeth M. Gardner; Laura M. C. Barter; Chris J. Barnett; Ian R. Gould; David R. Klug; D. Jason Palmer; Keith R. Willison

J. Chem. Phys. 127, 114513 (2007) https://doi.org/10.1063/1.2771176

Abstract

View articletitled, Direct identification and decongestion of Fermi resonances by control of pulse time ordering in two-dimensional IR spectroscopy

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Surfaces, Interfaces, and Materials

Effect of oxidation on the wettability of poly(dimethylsiloxane) surfaces

M. Schneemilch; N. Quirke

J. Chem. Phys. 127, 114701 (2007) https://doi.org/10.1063/1.2770723

Abstract

View articletitled, Effect of oxidation on the wettability of poly(dimethylsiloxane) surfaces

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Scanning tunneling microscopy study of metal-free phthalocyanine monolayer structures on graphite

Katharina Nilson; John Åhlund; Barbara Brena; Emmanuelle Göthelid; Joachim Schiessling; Nils Mårtensson; Carla Puglia

J. Chem. Phys. 127, 114702 (2007) https://doi.org/10.1063/1.2770732

Abstract

View articletitled, Scanning tunneling microscopy study of metal-free phthalocyanine monolayer structures on graphite

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Electronic properties of the interface between $p - Cu I$ and anatase-phase $n - Ti O_{2}$ single crystal and nanoparticulate surfaces: A photoemission study

A. R. Kumarasinghe; W. R. Flavell; A. G. Thomas; A. K. Mallick; D. Tsoutsou; C. Chatwin; S. Rayner; P. Kirkham; S. Warren; S. Patel; P. Christian; P. O’Brien; M. Grätzel; R. Hengerer

J. Chem. Phys. 127, 114703 (2007) https://doi.org/10.1063/1.2772249

Abstract

View articletitled, Electronic properties of the interface between <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi>p</mi><mtext>-</mtext><mi mathvariant="normal">Cu</mi><mi mathvariant="normal">I</mi></mrow></math> and anatase-phase <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi>n</mi><mtext>-</mtext><mi mathvariant="normal">Ti</mi><msub><mi mathvariant="normal">O</mi><mn>2</mn></msub></mrow></math> single crystal and nanoparticulate surfaces: A photoemission study

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Soft x-ray photoreactions of $C F_{3} Cl$ adsorbed on $Si (111) - 7 \times 7$ studied by continuous-time photon-stimulated desorption spectroscopy near $F (1 s)$ edge

C.-R. Wen; C.-Y. Jang; L.-C. Chou; J. Chen; Y.-H. Wu; S.-C. Chang; W.-C. Tsai; C.-C. Liu; S.-K. Wang; Y. Shai

J. Chem. Phys. 127, 114704 (2007) https://doi.org/10.1063/1.2772257

Abstract

View articletitled, Soft x-ray photoreactions of <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">C</mi><msub><mi mathvariant="normal">F</mi><mn>3</mn></msub><mi mathvariant="normal">Cl</mi></mrow></math> adsorbed on <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">Si</mi><mrow><mo>(</mo><mn>111</mn><mo>)</mo></mrow><mtext>-</mtext><mn>7</mn><mo>×</mo><mn>7</mn></mrow></math> studied by continuous-time photon-stimulated desorption spectroscopy near <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">F</mi><mrow><mo>(</mo><mn>1</mn><mi>s</mi><mo>)</mo></mrow></mrow></math> edge

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Picosecond time resolved photoluminescence spectroscopy of a tetracene film on highly oriented pyrolytic graphite: Dynamical relaxation, trap emission, and superradiance

M. Voigt; A. Langner; P. Schouwink; J. M. Lupton; R. F. Mahrt; M. Sokolowski

J. Chem. Phys. 127, 114705 (2007) https://doi.org/10.1063/1.2766944

Abstract

View articletitled, Picosecond time resolved photoluminescence spectroscopy of a tetracene film on highly oriented pyrolytic graphite: Dynamical relaxation, trap emission, and superradiance

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Temperature dependence of the colloidal agglomeration inhibition: Computer simulation study

Mariana Barcenas; Janna Douda; Yurko Duda

J. Chem. Phys. 127, 114706 (2007) https://doi.org/10.1063/1.2768519

Abstract

View articletitled, Temperature dependence of the colloidal agglomeration inhibition: Computer simulation study

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Experimental and theoretical study of reactivity trends for methanol on $Co ∕ Pt (111)$ and $Ni ∕ Pt (111)$ bimetallic surfaces

Orest Skoplyak; Carl A. Menning; Mark A. Barteau; Jingguang G. Chen

J. Chem. Phys. 127, 114707 (2007) https://doi.org/10.1063/1.2768520

Abstract

View articletitled, Experimental and theoretical study of reactivity trends for methanol on <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">Co</mi><mo>∕</mo><mi mathvariant="normal">Pt</mi><mrow><mo>(</mo><mn>111</mn><mo>)</mo></mrow></mrow></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><mi mathvariant="normal">Ni</mi><mo>∕</mo><mi mathvariant="normal">Pt</mi><mrow><mo>(</mo><mn>111</mn><mo>)</mo></mrow></mrow></math> bimetallic surfaces

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Electronic structure of spherical quantum dots using coupled cluster method

Ideh Heidari; Sourav Pal; B. S. Pujari; D. G. Kanhere

J. Chem. Phys. 127, 114708 (2007) https://doi.org/10.1063/1.2768523

Abstract

View articletitled, Electronic structure of spherical quantum dots using coupled cluster method

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Ab initio statistical mechanics of surface adsorption and desorption. I. $H_{2} O$ on MgO (001) at low coverage

D. Alfè; M. J. Gillan

J. Chem. Phys. 127, 114709 (2007) https://doi.org/10.1063/1.2772258

Abstract

View articletitled, Ab initio statistical mechanics of surface adsorption and desorption. I. <math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msub><mi mathvariant="normal">H</mi><mn>2</mn></msub><mi mathvariant="normal">O</mi></mrow></math> on MgO (001) at low coverage

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Buoyancy-driven convection around chemical fronts traveling in covered horizontal solution layers

L. Rongy; N. Goyal; E. Meiburg; A. De Wit

J. Chem. Phys. 127, 114710 (2007) https://doi.org/10.1063/1.2766956

Abstract

View articletitled, Buoyancy-driven convection around chemical fronts traveling in covered horizontal solution layers

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Polymers and Complex Systems

Triplets in extended nematic liquid crystals and polarons in their blends

Wing C. Tsoi; Mary O’Neill; Matthew P. Aldred; Panos Vlachos; Stephen M. Kelly

J. Chem. Phys. 127, 114901 (2007) https://doi.org/10.1063/1.2768346

Abstract

View articletitled, Triplets in extended nematic liquid crystals and polarons in their blends

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Excitonic effects in a time-dependent density functional theory

Kirill I. Igumenshchev; Sergei Tretiak; Vladimir Y. Chernyak

J. Chem. Phys. 127, 114902 (2007) https://doi.org/10.1063/1.2773727

Abstract

View articletitled, Excitonic effects in a time-dependent density functional theory

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Effect of polymer size and chain length on depletion interactions between two colloids

Soon-Chul Kim; Soong-Hyuck Suh; Baek-Seok Seong

J. Chem. Phys. 127, 114903 (2007) https://doi.org/10.1063/1.2776260

Abstract

View articletitled, Effect of polymer size and chain length on depletion interactions between two colloids

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Effects of block copolymer’s architecture on its association with lipid membranes: Experiments and simulations

Shelli L. Frey; Dongsheng Zhang; Marcelo A. Carignano; Igal Szleifer; Ka Yee C. Lee

J. Chem. Phys. 127, 114904 (2007) https://doi.org/10.1063/1.2768947

Abstract

View articletitled, Effects of block copolymer’s architecture on its association with lipid membranes: Experiments and simulations

Supplementary Material

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Structure of a semidilute polymer solution under steady shear

Prasanth P. Jose; Grzegorz Szamel

J. Chem. Phys. 127, 114905 (2007) https://doi.org/10.1063/1.2768941

Abstract

View articletitled, Structure of a semidilute polymer solution under steady shear

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Self-assembly of diblock copolymers confined in cylindrical nanopores

Bin Yu; Pingchuan Sun; Tiehong Chen; Qinghua Jin; Datong Ding; Baohui Li; An-Chang Shi

J. Chem. Phys. 127, 114906 (2007) https://doi.org/10.1063/1.2768920

Abstract

View articletitled, Self-assembly of diblock copolymers confined in cylindrical nanopores

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Stress relaxation in polymer networks: Equilibrium behavior and dynamics

J. M. Adams; Y. Mao; W. L. Vandoolaeghe

J. Chem. Phys. 127, 114907 (2007) https://doi.org/10.1063/1.2768921

Abstract

View articletitled, Stress relaxation in polymer networks: Equilibrium behavior and dynamics

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Adsorption and freezing of diblock copolymers on stripe-patterned surfaces: A scaling analysis

K. Sumithra; E. Straube

J. Chem. Phys. 127, 114908 (2007) https://doi.org/10.1063/1.2780162

Abstract

View articletitled, Adsorption and freezing of diblock copolymers on stripe-patterned surfaces: A scaling analysis

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Biological Molecules, Biopolymers, and Biological Systems

Diffusion model of solute dynamics in a membrane channel: Mapping onto the two-site model and optimizing the flux

Sergey M. Bezrukov; Alexander M. Berezhkovskii; Attila Szabo

J. Chem. Phys. 127, 115101 (2007) https://doi.org/10.1063/1.2766720

Abstract

View articletitled, Diffusion model of solute dynamics in a membrane channel: Mapping onto the two-site model and optimizing the flux

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Collective diffusion coefficient of proteins with hydrodynamic, electrostatic, and adhesive interactions

Peter Prinsen; Theo Odijk

J. Chem. Phys. 127, 115102 (2007) https://doi.org/10.1063/1.2771160

Abstract

View articletitled, Collective diffusion coefficient of proteins with hydrodynamic, electrostatic, and adhesive interactions

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Ordering of lipid A-monophosphate clusters in aqueous solutions

Chester A. Faunce; Hendrik Reichelt; Peter Quitschau; Henrich H. Paradies

J. Chem. Phys. 127, 115103 (2007) https://doi.org/10.1063/1.2768524

Abstract

View articletitled, Ordering of lipid A-monophosphate clusters in aqueous solutions

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LETTERS TO THE EDITOR

Comments

Comment on “Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study” [J. Chem. Phys. 126, 091105 (2007)]

Mays L. Swicord; Asher R. Sheppard; Quirino Balzano

J. Chem. Phys. 127, 117101 (2007) https://doi.org/10.1063/1.2768344

Abstract

View articletitled, Comment on “Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study” [J. Chem. Phys. 126, 091105 (2007)]

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Response to “Comment on ‘Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study’” [J. Chem. Phys. 126, 091105 (2007)]

Niall J. English; Damian A. Mooney

J. Chem. Phys. 127, 117102 (2007) https://doi.org/10.1063/1.2768345

Abstract

View articletitled, Response to “Comment on ‘Denaturation of hen egg white lysozyme in electromagnetic fields: A molecular dynamics study’” [J. Chem. Phys. 126, 091105 (2007)]

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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 and Complex Systems

Biological Molecules, Biopolymers, and Biological Systems

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