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COMMUNICATIONS

Communication: Hybrid femtosecond/picosecond rotational coherent anti-Stokes Raman scattering thermometry using a narrowband time-asymmetric probe pulse

Hans U. Stauffer; Joseph D. Miller; Sukesh Roy; James R. Gord; Terrence R. Meyer

J. Chem. Phys. 136, 111101 (2012) https://doi.org/10.1063/1.3693669

Abstract

View articletitled, Communication: Hybrid femtosecond/picosecond rotational coherent anti-Stokes Raman scattering thermometry using a narrowband time-asymmetric probe pulse

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Communication: Impact of inertia on biased Brownian transport in confined geometries

S. Martens; I. M. Sokolov; L. Schimansky-Geier

J. Chem. Phys. 136, 111102 (2012) https://doi.org/10.1063/1.3696002

Abstract

View articletitled, Communication: Impact of inertia on biased Brownian transport in confined geometries

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Communication: Spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: A measure for the coupling contribution

Leonie Anna Mück; Jürgen Gauss

J. Chem. Phys. 136, 111103 (2012) https://doi.org/10.1063/1.3694132

Abstract

View articletitled, Communication: Spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: A measure for the coupling contribution

Supplementary Material

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ARTICLES

Theoretical Methods and Algorithms

Calculation of longitudinal polarizability and second hyperpolarizability of polyacetylene with the coupled perturbed Hartree-Fock/Kohn-Sham scheme: Where it is shown how finite oligomer chains tend to the infinite periodic polymer

Valentina Lacivita; Michel Rèrat; Roberto Orlando; Mauro Ferrero; Roberto Dovesi

J. Chem. Phys. 136, 114101 (2012) https://doi.org/10.1063/1.3690457

Abstract

View articletitled, Calculation of longitudinal polarizability and second hyperpolarizability of polyacetylene with the coupled perturbed Hartree-Fock/Kohn-Sham scheme: Where it is shown how finite oligomer chains tend to the infinite periodic polymer

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Effect of discontinuities in Kohn-Sham-based chemical reactivity theory

Maria Hellgren; E. K. U. Gross

J. Chem. Phys. 136, 114102 (2012) https://doi.org/10.1063/1.3694103

Abstract

View articletitled, Effect of discontinuities in Kohn-Sham-based chemical reactivity theory

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Diffusion in one-dimensional channels with zero-mean time-periodic tilting forces

E. Muñoz-Gutiérrez; J. Alvarez-Ramirez; L. Dagdug; G. Espinosa-Paredes

J. Chem. Phys. 136, 114103 (2012) https://doi.org/10.1063/1.3693332

Abstract

View articletitled, Diffusion in one-dimensional channels with zero-mean time-periodic tilting forces

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Shape fluctuation-induced dynamic hysteresis

Moupriya Das; Debasish Mondal; Deb Shankar Ray

J. Chem. Phys. 136, 114104 (2012) https://doi.org/10.1063/1.3693333

Abstract

View articletitled, Shape fluctuation-induced dynamic hysteresis

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Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition

Petr Čársky; Roman Čurík; Štefan Varga

J. Chem. Phys. 136, 114105 (2012) https://doi.org/10.1063/1.3693411

Abstract

View articletitled, Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition

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Application of efficient algorithm for solving six-dimensional molecular Ornstein-Zernike equation

R. Ishizuka; N. Yoshida

J. Chem. Phys. 136, 114106 (2012) https://doi.org/10.1063/1.3693623

Abstract

View articletitled, Application of efficient algorithm for solving six-dimensional molecular Ornstein-Zernike equation

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Polarization consistent basis sets. VII. The elements K, Ca, Ga, Ge, As, Se, Br, and Kr

Frank Jensen

J. Chem. Phys. 136, 114107 (2012) https://doi.org/10.1063/1.3690460

Abstract

View articletitled, Polarization consistent basis sets. VII. The elements K, Ca, Ga, Ge, As, Se, Br, and Kr

Supplementary Material

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Dynamical mean-field theory for molecules and nanostructures

Volodymyr Turkowski; Alamgir Kabir; Neha Nayyar; Talat S. Rahman

J. Chem. Phys. 136, 114108 (2012) https://doi.org/10.1063/1.3692613

Abstract

View articletitled, Dynamical mean-field theory for molecules and nanostructures

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Pattern formation from consistent dynamical closures of uniaxial nematic liquid crystals

Humberto Híjar; Diego Marquina de Hoyos; Iván Santamaría-Holek

J. Chem. Phys. 136, 114109 (2012) https://doi.org/10.1063/1.3692600

Abstract

View articletitled, Pattern formation from consistent dynamical closures of uniaxial nematic liquid crystals

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On the use of effective core potentials in the calculation of magnetic properties, such as magnetizabilites and magnetic shieldings

Christoph van Wüllen

J. Chem. Phys. 136, 114110 (2012) https://doi.org/10.1063/1.3694535

Abstract

View articletitled, On the use of effective core potentials in the calculation of magnetic properties, such as magnetizabilites and magnetic shieldings

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Kinetic energy release in fragmentation processes following electron emission: A time-dependent approach

Ying-Chih Chiang; Frank Otto; Hans-Dieter Meyer; Lorenz S. Cederbaum

J. Chem. Phys. 136, 114111 (2012) https://doi.org/10.1063/1.3694536

Abstract

View articletitled, Kinetic energy release in fragmentation processes following electron emission: A time-dependent approach

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Ewald mesh method for quantum mechanical calculations

Chun-Min Chang; Yihan Shao; Jing Kong

J. Chem. Phys. 136, 114112 (2012) https://doi.org/10.1063/1.3694829

Abstract

View articletitled, Ewald mesh method for quantum mechanical calculations

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Observable quasi-bound states of the H₂ molecule

Matti Selg

J. Chem. Phys. 136, 114113 (2012) https://doi.org/10.1063/1.3692968

Abstract

View articletitled, Observable quasi-bound states of the H2 molecule

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Enhanced Wang Landau sampling of adsorbed protein conformations

Mithun Radhakrishna; Sumit Sharma; Sanat K. Kumar

J. Chem. Phys. 136, 114114 (2012) https://doi.org/10.1063/1.3691669

Abstract

View articletitled, Enhanced Wang Landau sampling of adsorbed protein conformations

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Advanced Experimental Techniques

Employing a cylindrical single crystal in gas-surface dynamics

Christine Hahn; Junjun Shan; Ying Liu; Otto Berg; Aart W. Kleijn; Ludo B. F. Juurlink

J. Chem. Phys. 136, 114201 (2012) https://doi.org/10.1063/1.3692686

Abstract

View articletitled, Employing a cylindrical single crystal in gas-surface dynamics

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Infrared/ultraviolet quadruple resonance spectroscopy to investigate structures of electronically excited states

M. Weiler; K. Bartl; M. Gerhards

J. Chem. Phys. 136, 114202 (2012) https://doi.org/10.1063/1.3693508

Abstract

View articletitled, Infrared/ultraviolet quadruple resonance spectroscopy to investigate structures of electronically excited states

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

Multipodal coordination of a tetracarboxylic crown ether with |${\rm NH}_4^+$| ${NH}_{4}^{+}$ ⁠: A vibrational spectroscopy and computational study

Paola Hurtado; Francisco Gámez; Said Hamad; Bruno Martínez–Haya; Jeffrey D. Steill; Jos Oomens

J. Chem. Phys. 136, 114301 (2012) https://doi.org/10.1063/1.3693518

Abstract

View articletitled, Multipodal coordination of a tetracarboxylic crown ether with |${\rm NH}_4^+$|<math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mi> NH </mi><mn>4</mn><mo>+</mo></msubsup></math>⁠: A vibrational spectroscopy and computational study

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Transition dipole moments between the low-lying Ω_g,u^(+/−) states of the Rb₂ and Cs₂ molecules

Abdul-Rahman Allouche; Monique Aubert-Frécon

J. Chem. Phys. 136, 114302 (2012) https://doi.org/10.1063/1.3694014

Abstract

View articletitled, Transition dipole moments between the low-lying Ωg,u(+/−) states of the Rb2 and Cs2 molecules

Supplementary Material

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Inter-channel effects in monosolvated atomic iodide cluster anion detachment: Correlation of the anisotropy parameter with solvent dipole moment

Foster Mbaiwa; Diep Dao; Nicholas Holtgrewe; Joshua Lasinski; Richard Mabbs

J. Chem. Phys. 136, 114303 (2012) https://doi.org/10.1063/1.3694244

Abstract

View articletitled, Inter-channel effects in monosolvated atomic iodide cluster anion detachment: Correlation of the anisotropy parameter with solvent dipole moment

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Excited states and electronic spectra of annulated dinuclear free-base phthalocyanines: A theoretical study on near-infrared-absorbing dyes

Ryoichi Fukuda; Masahiro Ehara

J. Chem. Phys. 136, 114304 (2012) https://doi.org/10.1063/1.3692964

Abstract

View articletitled, Excited states and electronic spectra of annulated dinuclear free-base phthalocyanines: A theoretical study on near-infrared-absorbing dyes

Supplementary Material

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Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers

Wenpeng Wu; Zexing Cao; Yi Zhao

J. Chem. Phys. 136, 114305 (2012) https://doi.org/10.1063/1.3693264

Abstract

View articletitled, Theoretical studies on absorption, emission, and resonance Raman spectra of Coumarin 343 isomers

Supplementary Material

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Shell models of two-dimensional Coulomb crystals: Assessment and comparison with the three-dimensional case

Jerzy Cioslowski; Joanna Albin

J. Chem. Phys. 136, 114306 (2012) https://doi.org/10.1063/1.3693517

Abstract

View articletitled, Shell models of two-dimensional Coulomb crystals: Assessment and comparison with the three-dimensional case

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Fully converged integral cross sections of collision induced dissociation, four-center, and single exchange reactions, and accuracy of the centrifugal sudden approximation in H₂ + D₂ reaction

Hongwei Song; Yunpeng Lu; Soo-Y. Lee

J. Chem. Phys. 136, 114307 (2012) https://doi.org/10.1063/1.3693762

Abstract

View articletitled, Fully converged integral cross sections of collision induced dissociation, four-center, and single exchange reactions, and accuracy of the centrifugal sudden approximation in H2 + D2 reaction

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Excited Li and Na in He_n: Influence of the dimer potential energy curves

David Dell’Angelo; Grégoire Guillon; Alexandra Viel

J. Chem. Phys. 136, 114308 (2012) https://doi.org/10.1063/1.3693766

Abstract

View articletitled, Excited Li and Na in Hen: Influence of the dimer potential energy curves

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Optical Stark spectroscopy of the |$2_0^6$| $2_{}^{6}$ |$\tilde{A}^1A^{\prime \prime} - \tilde{X}^1A^{\prime} $| ${\tilde{A}}^{1} A^{''} - {\tilde{X}}^{1} A^{'}$ band of chloro-methylene, HCCl

Timothy C. Steimle; Fang Wang; Xiujuan Zhuang; Zhong Wang

J. Chem. Phys. 136, 114309 (2012) https://doi.org/10.1063/1.3694245

Abstract

View articletitled, Optical Stark spectroscopy of the |$2_0^6$|<math xmlns="http://www.w3.org/1998/Math/MathML"><msubsup xmlns=""><mn>2</mn><mrow><mn></mn></mrow><mn>6</mn></msubsup></math> |$\tilde{A}^1A^{\prime \prime} - \tilde{X}^1A^{\prime} $|<math xmlns="http://www.w3.org/1998/Math/MathML"><mrow xmlns=""><msup><mover accent="true"><mi>A</mi><mo>̃</mo></mover><mn>1</mn></msup><msup><mi>A</mi><mrow><mo>′</mo><mo>′</mo></mrow></msup><mo>−</mo><msup><mover accent="true"><mi>X</mi><mo>̃</mo></mover><mn>1</mn></msup><msup><mi>A</mi><mo>′</mo></msup></mrow></math> band of chloro-methylene, HCCl

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Quantum state-to-state dynamics for the quenching process of Br(²P_1/2) + H₂(v_i = 0, 1, j_i = 0)

Changjian Xie; Bin Jiang; Daiqian Xie; Zhigang Sun

J. Chem. Phys. 136, 114310 (2012) https://doi.org/10.1063/1.3694012

Abstract

View articletitled, Quantum state-to-state dynamics for the quenching process of Br(2P1/2) + H2(vi = 0, 1, ji = 0)

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Electron scattering by methanol and ethanol: A joint theoretical-experimental investigation

M.-T. Lee; G. L. C. de Souza; L. E. Machado; L. M. Brescansin; A. S. dos Santos; R. R. Lucchese; R. T. Sugohara; M. G. P. Homem; I. P. Sanches; I. Iga

J. Chem. Phys. 136, 114311 (2012) https://doi.org/10.1063/1.3695211

Abstract

View articletitled, Electron scattering by methanol and ethanol: A joint theoretical-experimental investigation

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A detailed test study of barrier heights for the HO₂ + H₂O + O₃ reaction with various forms of multireference perturbation theory

Luís P. Viegas; António J. C. Varandas

J. Chem. Phys. 136, 114312 (2012) https://doi.org/10.1063/1.3695371

Abstract

View articletitled, A detailed test study of barrier heights for the HO2 + H2O + O3 reaction with various forms of multireference perturbation theory

Supplementary Material

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Experimental studies of the NaCs 5³Π and 1(a)³Σ⁺ states

S. Ashman; B. McGeehan; C. M. Wolfe; C. Faust; K. Richter; J. Jones; A. P. Hickman; J. Huennekens

J. Chem. Phys. 136, 114313 (2012) https://doi.org/10.1063/1.3689388

Abstract

View articletitled, Experimental studies of the NaCs 53Π and 1(a)3Σ+ states

Supplementary Material

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

Fourier transform infrared isotopic study of ZnC₃: Identification of the ν₁(a^′) mode

Micheline Bejjani; R. E. Kinzer, Jr.; C. M. L. Rittby; W. R. M. Graham

J. Chem. Phys. 136, 114501 (2012) https://doi.org/10.1063/1.3692388

Abstract

View articletitled, Fourier transform infrared isotopic study of ZnC3: Identification of the ν1(a′) mode

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Dielectric spectra broadening as the signature of dipole-matrix interaction. I. Water in nonionic solutions

Evgeniya Levy; Alexander Puzenko; Udo Kaatze; Paul Ben Ishai; Yuri Feldman

J. Chem. Phys. 136, 114502 (2012) https://doi.org/10.1063/1.3687914

Abstract

View articletitled, Dielectric spectra broadening as the signature of dipole-matrix interaction. I. Water in nonionic solutions

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Dielectric spectra broadening as the signature of dipole-matrix interaction. II. Water in ionic solutions

Evgeniya Levy; Alexander Puzenko; Udo Kaatze; Paul Ben Ishai; Yuri Feldman

J. Chem. Phys. 136, 114503 (2012) https://doi.org/10.1063/1.3691183

Abstract

View articletitled, Dielectric spectra broadening as the signature of dipole-matrix interaction. II. Water in ionic solutions

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¹H NMR relaxation in glycerol solutions of nitroxide radicals: Effects of translational and rotational dynamics

D. Kruk; A. Korpala; E. Rössler; K. A. Earle; W. Medycki; J. Moscicki

J. Chem. Phys. 136, 114504 (2012) https://doi.org/10.1063/1.3692603

Abstract

View articletitled, 1H NMR relaxation in glycerol solutions of nitroxide radicals: Effects of translational and rotational dynamics

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Structural changes of Pd₁₃ upon charging and oxidation/reduction

J. Ulises Reveles; A. M. Köster; P. Calaminici; S. N. Khanna

J. Chem. Phys. 136, 114505 (2012) https://doi.org/10.1063/1.3692612

Abstract

View articletitled, Structural changes of Pd13 upon charging and oxidation/reduction

Supplementary Material

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Fluid transport in nanochannels induced by temperature gradients

Chong Liu; Ya Lv; Zhigang Li

J. Chem. Phys. 136, 114506 (2012) https://doi.org/10.1063/1.3693334

Abstract

View articletitled, Fluid transport in nanochannels induced by temperature gradients

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A transferable ab initio based force field for aqueous ions

Sami Tazi; John J. Molina; Benjamin Rotenberg; Pierre Turq; Rodolphe Vuilleumier; Mathieu Salanne

J. Chem. Phys. 136, 114507 (2012) https://doi.org/10.1063/1.3692965

Abstract

View articletitled, A transferable ab initio based force field for aqueous ions

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The dispersive behavior of collective excitations in fluids: An experimental test for the generalized collective modes theory

F. Bencivenga; A. Cunsolo

J. Chem. Phys. 136, 114508 (2012) https://doi.org/10.1063/1.3693624

Abstract

View articletitled, The dispersive behavior of collective excitations in fluids: An experimental test for the generalized collective modes theory

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A first principles molecular dynamics study of the solvation structure and migration kinetics of an excess proton and a hydroxide ion in binary water-ammonia mixtures

Arindam Bankura; Amalendu Chandra

J. Chem. Phys. 136, 114509 (2012) https://doi.org/10.1063/1.3691602

Abstract

View articletitled, A first principles molecular dynamics study of the solvation structure and migration kinetics of an excess proton and a hydroxide ion in binary water-ammonia mixtures

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The effect of pressure on the hydration structure around hydrophobic solute: A molecular dynamics simulation study

Rahul Sarma; Sandip Paul

J. Chem. Phys. 136, 114510 (2012) https://doi.org/10.1063/1.3694834

Abstract

View articletitled, The effect of pressure on the hydration structure around hydrophobic solute: A molecular dynamics simulation study

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Ab initio parameterization of an all-atom polarizable and dissociable force field for water

Carlos Pinilla; Amir H. Irani; Nicola Seriani; Sandro Scandolo

J. Chem. Phys. 136, 114511 (2012) https://doi.org/10.1063/1.3691603

Abstract

View articletitled, Ab initio parameterization of an all-atom polarizable and dissociable force field for water

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The optical activity of carvone: A theoretical and experimental investigation

Jason Lambert; R. N. Compton; T. Daniel Crawford

J. Chem. Phys. 136, 114512 (2012) https://doi.org/10.1063/1.3693270

Abstract

View articletitled, The optical activity of carvone: A theoretical and experimental investigation

Supplementary Material

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Formation and phase transitions of methane hydrates under dynamic loadings: Compression rate dependent kinetics

Jing-Yin Chen; Choong-Shik Yoo

J. Chem. Phys. 136, 114513 (2012) https://doi.org/10.1063/1.3695212

Abstract

View articletitled, Formation and phase transitions of methane hydrates under dynamic loadings: Compression rate dependent kinetics

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Surfaces, Interfaces, and Materials

Hydrogen fluoride adsorption and reaction on the α-Al₂O₃(0001) surface: A density functional theory study

Jie-Li Quan; Bo-Tao Teng; Xiao-Dong Wen; Yue Zhao; Rui Liu; Meng-Fei Luo

J. Chem. Phys. 136, 114701 (2012) https://doi.org/10.1063/1.3694102

Abstract

View articletitled, Hydrogen fluoride adsorption and reaction on the α-Al2O3(0001) surface: A density functional theory study

Supplementary Material

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Explicit all-atom modeling of realistically sized ligand-capped nanocrystals

Ananth P. Kaushik; Paulette Clancy

J. Chem. Phys. 136, 114702 (2012) https://doi.org/10.1063/1.3689973

Abstract

View articletitled, Explicit all-atom modeling of realistically sized ligand-capped nanocrystals

Supplementary Material

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Ethanol adsorption on the Si (111) surface: First principles study

Alexander V. Gavrilenko; Carl E. Bonner; Vladimir I. Gavrilenko

J. Chem. Phys. 136, 114703 (2012) https://doi.org/10.1063/1.3691892

Abstract

View articletitled, Ethanol adsorption on the Si (111) surface: First principles study

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Casimir amplitudes and capillary condensation of near-critical fluids between parallel plates: Renormalized local functional theory

Ryuichi Okamoto; Akira Onuki

J. Chem. Phys. 136, 114704 (2012) https://doi.org/10.1063/1.3693331

Abstract

View articletitled, Casimir amplitudes and capillary condensation of near-critical fluids between parallel plates: Renormalized local functional theory

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On simulations of complex interfaces: Molecular dynamics simulations of stationary phases

K. Hall; M. Ashtari; N. M. Cann

J. Chem. Phys. 136, 114705 (2012) https://doi.org/10.1063/1.3693516

Abstract

View articletitled, On simulations of complex interfaces: Molecular dynamics simulations of stationary phases

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Surface properties of the polarizable Baranyai-Kiss water model

Péter Kiss; Mária Darvas; András Baranyai; Pál Jedlovszky

J. Chem. Phys. 136, 114706 (2012) https://doi.org/10.1063/1.3692602

Abstract

View articletitled, Surface properties of the polarizable Baranyai-Kiss water model

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On interfacial tension calculation from the test-area methodology in the grand canonical ensemble

J. M. Míguez; M. M. Piñeiro; A. I. Moreno-Ventas Bravo; F. J. Blas

J. Chem. Phys. 136, 114707 (2012) https://doi.org/10.1063/1.3694533

Abstract

View articletitled, On interfacial tension calculation from the test-area methodology in the grand canonical ensemble

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Desorption of C₆₀ upon thermal decomposition of cesium C₅₈ fullerides

Seyithan Ulas; Daniel Löffler; Patrick Weis; Artur Böttcher; Manfred M. Kappes

J. Chem. Phys. 136, 114708 (2012) https://doi.org/10.1063/1.3694831

Abstract

View articletitled, Desorption of C60 upon thermal decomposition of cesium C58 fullerides

Supplementary Material

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Hydration strongly affects the molecular and electronic structure of membrane phospholipids

Alireza Mashaghi; P. Partovi-Azar; Tayebeh Jadidi; Nasser Nafari; Philipp Maass; M. Reza Rahimi Tabar; Mischa Bonn; Huib J. Bakker

J. Chem. Phys. 136, 114709 (2012) https://doi.org/10.1063/1.3694280

Abstract

View articletitled, Hydration strongly affects the molecular and electronic structure of membrane phospholipids

Supplementary Material

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Evidence of stable high-temperature D_x-CO intermediates on the Ru(0001) surface

Hirokazu Ueta; Irene M. N. Groot; Ludo B. F. Juurlink; Aart W. Kleyn; Michael A. Gleeson

J. Chem. Phys. 136, 114710 (2012) https://doi.org/10.1063/1.3689553

Abstract

View articletitled, Evidence of stable high-temperature Dx-CO intermediates on the Ru(0001) surface

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Polymers and Complex Systems

Hybrid molecular dynamics simulations of living filaments

Mathieu Caby; Priscilla Hardas; Sanoop Ramachandran; Jean-Paul Ryckaert

J. Chem. Phys. 136, 114901 (2012) https://doi.org/10.1063/1.3694672

Abstract

View articletitled, Hybrid molecular dynamics simulations of living filaments

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Biological Molecules, Biopolymers, and Biological Systems

From protein denaturant to protectant: Comparative molecular dynamics study of alcohol/protein interactions

Qiang Shao; Yubo Fan; Lijiang Yang; Yi Qin Gao

J. Chem. Phys. 136, 115101 (2012) https://doi.org/10.1063/1.3692801

Abstract

View articletitled, From protein denaturant to protectant: Comparative molecular dynamics study of alcohol/protein interactions

Supplementary Material

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Influence of environment induced correlated fluctuations in electronic coupling on coherent excitation energy transfer dynamics in model photosynthetic systems

Pengfei Huo; David F. Coker

J. Chem. Phys. 136, 115102 (2012) https://doi.org/10.1063/1.3693019

Abstract

View articletitled, Influence of environment induced correlated fluctuations in electronic coupling on coherent excitation energy transfer dynamics in model photosynthetic systems

Supplementary Material

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Dimethyl sulfoxide induced structural transformations and non-monotonic concentration dependence of conformational fluctuation around active site of lysozyme

Susmita Roy; Biman Jana; Biman Bagchi

J. Chem. Phys. 136, 115103 (2012) https://doi.org/10.1063/1.3694268

Abstract

View articletitled, Dimethyl sulfoxide induced structural transformations and non-monotonic concentration dependence of conformational fluctuation around active site of lysozyme

Supplementary Material

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LETTERS TO THE EDITOR

Notes

Note: Particle transport through deformable pore geometries

Pulak K. Ghosh; Fabio Marchesoni

J. Chem. Phys. 136, 116101 (2012) https://doi.org/10.1063/1.3693625

Abstract

View articletitled, Note: Particle transport through deformable pore geometries

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Note: Volume errors and equimolar surfaces

Franca Maria Floris

J. Chem. Phys. 136, 116102 (2012) https://doi.org/10.1063/1.3693329

Abstract

View articletitled, Note: Volume errors and equimolar surfaces

Supplementary Material

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Issues

COMMUNICATIONS

ARTICLES

Theoretical Methods and Algorithms

Advanced Experimental Techniques

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

LETTERS TO THE EDITOR

Notes

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