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A fragmented, permutationally invariant polynomial approach for potential energy surfaces of large molecules: Application to N-methyl acetamide

Chen Qu; Joel M. Bowman

J. Chem. Phys. 150, 141101 (2019) https://doi.org/10.1063/1.5092794

Abstract

View articletitled, A fragmented, permutationally invariant polynomial approach for potential energy surfaces of large molecules: Application to N-methyl acetamide

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CHORUS

Generalized Voigt broadening due to thermal fluctuations of electromechanical nanosensors and molecular electronic junctions

Maicol A. Ochoa; Michael Zwolak

J. Chem. Phys. 150, 141102 (2019) https://doi.org/10.1063/1.5081140

Abstract

View articletitled, Generalized Voigt broadening due to thermal fluctuations of electromechanical nanosensors and molecular electronic junctions

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Quantifying the photoionization cross section of the hydroxyl radical

O. J. Harper; M. Hassenfratz; J.-C. Loison; G. A. Garcia; N. de Oliveira; H.R. Hrodmarsson; S. T. Pratt; S. Boyé-Péronne; B. Gans

J. Chem. Phys. 150, 141103 (2019) https://doi.org/10.1063/1.5091966

Abstract

View articletitled, Quantifying the photoionization cross section of the hydroxyl radical

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CHORUS

ARTICLES

Theoretical Methods and Algorithms

Pseudocontact shifts and paramagnetic susceptibility in semiempirical and quantum chemistry theories

Giacomo Parigi; Ladislav Benda; Enrico Ravera; Maurizio Romanelli; Claudio Luchinat

J. Chem. Phys. 150, 144101 (2019) https://doi.org/10.1063/1.5037428

Abstract

View articletitled, Pseudocontact shifts and paramagnetic susceptibility in semiempirical and quantum chemistry theories

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Sparse non-orthogonal wave function expansions from the extension of the generalized Pauli constraints to the two-electron reduced density matrix

Jan-Niklas Boyn; David A. Mazziotti

J. Chem. Phys. 150, 144102 (2019) https://doi.org/10.1063/1.5085056

Abstract

View articletitled, Sparse non-orthogonal wave function expansions from the extension of the generalized Pauli constraints to the two-electron reduced density matrix

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CHORUS

Microscopic calculation of absorption spectra of macromolecules: An analytic approach

Matteo Carli; Michele Turelli; Pietro Faccioli

J. Chem. Phys. 150, 144103 (2019) https://doi.org/10.1063/1.5084120

Abstract

View articletitled, Microscopic calculation of absorption spectra of macromolecules: An analytic approach

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Boundary conditions derived from a microscopic theory of hydrodynamics near solids

In Special Collection: JCP Editors' Choice 2019

Diego Camargo; J. A. de la Torre; Rafael Delgado-Buscalioni; Farid Chejne; Pep Español

J. Chem. Phys. 150, 144104 (2019) https://doi.org/10.1063/1.5088354

Abstract

View articletitled, Boundary conditions derived from a microscopic theory of hydrodynamics near solids

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A simple local expression for the prefactor in transition state theory

S. Kadkhodaei; A. van de Walle

J. Chem. Phys. 150, 144105 (2019) https://doi.org/10.1063/1.5086746

Abstract

View articletitled, A simple local expression for the prefactor in transition state theory

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CHORUS

Symplectic integration and physical interpretation of time-dependent coupled-cluster theory

Thomas Bondo Pedersen; Simen Kvaal

J. Chem. Phys. 150, 144106 (2019) https://doi.org/10.1063/1.5085390

Abstract

View articletitled, Symplectic integration and physical interpretation of time-dependent coupled-cluster theory

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Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

Chenyang Li; Roland Lindh; Francesco A. Evangelista

J. Chem. Phys. 150, 144107 (2019) https://doi.org/10.1063/1.5088120

Abstract

View articletitled, Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

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CHORUS

Polynomial-product states: A symmetry-projection-based factorization of the full coupled cluster wavefunction in terms of polynomials of double excitations

John A. Gomez; Thomas M. Henderson; Gustavo E. Scuseria

J. Chem. Phys. 150, 144108 (2019) https://doi.org/10.1063/1.5085314

Abstract

View articletitled, Polynomial-product states: A symmetry-projection-based factorization of the full coupled cluster wavefunction in terms of polynomials of double excitations

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CHORUS

Charge transfer excitation energies from ground state density functional theory calculations

Yuncai Mei; Weitao Yang

J. Chem. Phys. 150, 144109 (2019) https://doi.org/10.1063/1.5087883

Abstract

View articletitled, Charge transfer excitation energies from ground state density functional theory calculations

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A lattice Boltzmann model for squirmers

In Special Collection: Chemical Physics of Active Matter

Michael Kuron; Philipp Stärk; Christian Burkard; Joost de Graaf; Christian Holm

J. Chem. Phys. 150, 144110 (2019) https://doi.org/10.1063/1.5085765

Abstract

View articletitled, A lattice Boltzmann model for squirmers

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Response of active Brownian particles to shear flow

Kiryl Asheichyk; Alexandre P. Solon; Christian M. Rohwer; Matthias Krüger

J. Chem. Phys. 150, 144111 (2019) https://doi.org/10.1063/1.5086495

Abstract

View articletitled, Response of active Brownian particles to shear flow

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Non-adiabatic quantum molecular dynamics by the basis expansion leaping multi-configuration Gaussian (BEL MCG) method: Multi-set and single-set formalisms

Tatsuhiro Murakami; Terry J. Frankcombe

J. Chem. Phys. 150, 144112 (2019) https://doi.org/10.1063/1.5084749

Abstract

View articletitled, Non-adiabatic quantum molecular dynamics by the basis expansion leaping multi-configuration Gaussian (BEL MCG) method: Multi-set and single-set formalisms

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A kinetic-Monte Carlo perspective on active matter

In Special Collection: Chemical Physics of Active Matter

Juliane U. Klamser; Sebastian C. Kapfer; Werner Krauth

J. Chem. Phys. 150, 144113 (2019) https://doi.org/10.1063/1.5085828

Abstract

View articletitled, A kinetic-Monte Carlo perspective on active matter

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Machine learning modeling of Wigner intracule functionals for two electrons in one-dimension

Rutvij Bhavsar; Raghunathan Ramakrishnan

J. Chem. Phys. 150, 144114 (2019) https://doi.org/10.1063/1.5089597

Abstract

View articletitled, Machine learning modeling of Wigner intracule functionals for two electrons in one-dimension

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Analytic gradient for the QM/MM-Ewald method using charges derived from the electrostatic potential: Theory, implementation, and application to ab initio molecular dynamics simulation of the aqueous electron

Zachary C. Holden; Bhaskar Rana; John M. Herbert

J. Chem. Phys. 150, 144115 (2019) https://doi.org/10.1063/1.5089673

Abstract

View articletitled, Analytic gradient for the QM/MM-Ewald method using charges derived from the electrostatic potential: Theory, implementation, and application to ab initio molecular dynamics simulation of the aqueous electron

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CHORUS

Theoretical investigation of size, shape, and aspect ratio effect on the LSPR sensitivity of hollow-gold nanoshells

Masoud Shabaninezhad; Guda Ramakrishna

J. Chem. Phys. 150, 144116 (2019) https://doi.org/10.1063/1.5090885

Abstract

View articletitled, Theoretical investigation of size, shape, and aspect ratio effect on the LSPR sensitivity of hollow-gold nanoshells

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Advanced Experimental Techniques

A unified heteronuclear decoupling picture in solid-state NMR under low radio-frequency amplitude and fast magic-angle-spinning frequency regime

Kshama Sharma; Asif Equbal; Niels Chr. Nielsen; P. K. Madhu

J. Chem. Phys. 150, 144201 (2019) https://doi.org/10.1063/1.5082352

Abstract

View articletitled, A unified heteronuclear decoupling picture in solid-state NMR under low radio-frequency amplitude and fast magic-angle-spinning frequency regime

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Atoms, Molecules, and Clusters

Fully versus constrained statistical fragmentation of carbon clusters and their heteronuclear derivatives

Néstor F. Aguirre; Sergio Díaz-Tendero; Tijani IdBarkach; Marin Chabot; Karine Béroff; Manuel Alcamí; Fernando Martín

J. Chem. Phys. 150, 144301 (2019) https://doi.org/10.1063/1.5083864

Abstract

View articletitled, Fully versus constrained statistical fragmentation of carbon clusters and their heteronuclear derivatives

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Understanding the anharmonic vibrational structure of the carbon dioxide dimer

Samuel Maystrovsky; Murat Keçeli; Olaseni Sode

J. Chem. Phys. 150, 144302 (2019) https://doi.org/10.1063/1.5089460

Abstract

View articletitled, Understanding the anharmonic vibrational structure of the carbon dioxide dimer

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CHORUS

Accurate characterization of the lowest triplet potential energy surface of SO₂ with a coupled cluster method

Praveen Kumar; Jacek Kłos; Bill Poirier; Millard H. Alexander; Hua Guo

J. Chem. Phys. 150, 144303 (2019) https://doi.org/10.1063/1.5088959

Abstract

View articletitled, Accurate characterization of the lowest triplet potential energy surface of SO2 with a coupled cluster method

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CHORUS

Characterization of gas-phase thorium nitride

Anh T. Le; Sanjay G. Nakhate; Duc-Trung Nguyen; Timothy C. Steimle; Michael C. Heaven

J. Chem. Phys. 150, 144304 (2019) https://doi.org/10.1063/1.5089136

Abstract

View articletitled, Characterization of gas-phase thorium nitride

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CHORUS

Infrared bands of CS₂ dimer and trimer at 4.5 $μ$ m

A. J. Barclay; K. Esteki; K. H. Michaelian; A. R. W. McKellar; N. Moazzen-Ahmadi

J. Chem. Phys. 150, 144305 (2019) https://doi.org/10.1063/1.5091508

Abstract

View articletitled, Infrared bands of CS2 dimer and trimer at 4.5 <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="bold-italic" xmlns="">μ</mi></math>m

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Predissociation dynamics of D₂ + hv $\to$ D(1s_1/2) + D(2p_1/2,3/2, 2s_1/2) revealed by the spin-orbit state resolved fragment branching ratios and angular distributions

Jie Wang; Yuxiang Mo

J. Chem. Phys. 150, 144306 (2019) https://doi.org/10.1063/1.5087865

Abstract

View articletitled, Predissociation dynamics of D2 + hv <math xmlns="http://www.w3.org/1998/Math/MathML"><mo xmlns="">→</mo></math> D(1s1/2) + D(2p1/2,3/2, 2s1/2) revealed by the spin-orbit state resolved fragment branching ratios and angular distributions

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Molecular dynamics study of structure, folding, and aggregation of poly-glycine-alanine (Poly-GA)

Size Zheng; Ali Sahimi; Katherine S. Shing; Muhammad Sahimi

J. Chem. Phys. 150, 144307 (2019) https://doi.org/10.1063/1.5081867

Abstract

View articletitled, Molecular dynamics study of structure, folding, and aggregation of poly-glycine-alanine (Poly-GA)

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Accurate equilibrium structures of methyl methacrylate and methacrylic acid by microwave spectroscopy and dispersion corrected calculations

S. Herbers; P. Kraus; J.-U. Grabow

J. Chem. Phys. 150, 144308 (2019) https://doi.org/10.1063/1.5091693

Abstract

View articletitled, Accurate equilibrium structures of methyl methacrylate and methacrylic acid by microwave spectroscopy and dispersion corrected calculations

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Evaluation of the exothermicity of the chemi-ionization reaction Nd + O → NdO⁺ + e⁻ and neodymium oxide, carbide, dioxide, and carbonyl cation bond energies

Maryam Ghiassee; JungSoo Kim; P. B. Armentrout

J. Chem. Phys. 150, 144309 (2019) https://doi.org/10.1063/1.5091679

Abstract

View articletitled, Evaluation of the exothermicity of the chemi-ionization reaction Nd + O → NdO+ + e− and neodymium oxide, carbide, dioxide, and carbonyl cation bond energies

Supplementary Material

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An accurate semi-empirical potential model for the $a^{3} Σ_{u}^{+}$ state of the alkali dimers Na₂, K₂, Rb₂, and Cs₂ which reproduces the scattering length

Jurek B. Bauer; J. Peter Toennies

J. Chem. Phys. 150, 144310 (2019) https://doi.org/10.1063/1.5083116

Abstract

View articletitled, An accurate semi-empirical potential model for the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi xmlns="">a</mi><msup xmlns=""><mrow><mtext> </mtext></mrow><mrow><mn>3</mn></mrow></msup><msubsup xmlns=""><mrow><mi mathvariant="normal">Σ</mi></mrow><mrow><mi>u</mi></mrow><mrow><mo>+</mo></mrow></msubsup></math> state of the alkali dimers Na2, K2, Rb2, and Cs2 which reproduces the scattering length

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Two-body dissociation of C₃H₄ isomers investigated by 50 keV/u Ne⁸⁺ impact

Yutian Li; Shenyue Xu; Dalong Guo; Shaokui Jia; Xiaojuan Jiang; Xiaolong Zhu; Xinwen Ma

J. Chem. Phys. 150, 144311 (2019) https://doi.org/10.1063/1.5097413

Abstract

View articletitled, Two-body dissociation of C3H4 isomers investigated by 50 keV/u Ne8+ impact

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Liquids, Glasses, and Crystals

Three-stage phase separation kinetics in a model liquid binary mixture: A computational study

Milan K. Hazra; Sarmistha Sarkar; Biman Bagchi

J. Chem. Phys. 150, 144501 (2019) https://doi.org/10.1063/1.5055371

Abstract

View articletitled, Three-stage phase separation kinetics in a model liquid binary mixture: A computational study

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Breakdown of the scallop theorem for an asymmetrical folding molecular motor in soft matter

Victor Teboul; Gabriel Rajonson

J. Chem. Phys. 150, 144502 (2019) https://doi.org/10.1063/1.5086267

Abstract

View articletitled, Breakdown of the scallop theorem for an asymmetrical folding molecular motor in soft matter

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Carbon solubility in liquid silicon: A computational analysis across empirical potentials

Jinping Luo; Abdullah Alateeqi; Lijun Liu; Talid Sinno

J. Chem. Phys. 150, 144503 (2019) https://doi.org/10.1063/1.5088495

Abstract

View articletitled, Carbon solubility in liquid silicon: A computational analysis across empirical potentials

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Bounded inverse power potentials: Isomorphism and isosbestic points

I. Nikiteas; D. M. Heyes

J. Chem. Phys. 150, 144504 (2019) https://doi.org/10.1063/1.5089491

Abstract

View articletitled, Bounded inverse power potentials: Isomorphism and isosbestic points

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Size dependence of dynamic fluctuations in liquid and supercooled water

In Special Collection: Chemical Physics of Supercooled Water

Joan Manuel Montes de Oca; Sebastián R. Accordino; Gustavo A. Appignanesi; Philip H. Handle; Francesco Sciortino

J. Chem. Phys. 150, 144505 (2019) https://doi.org/10.1063/1.5085886

Abstract

View articletitled, Size dependence of dynamic fluctuations in liquid and supercooled water

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Spatial and thermal signatures of $α$ and $β$ relaxations in glassy and glacial aliphatic ionic liquids

Thamires A. Lima; Zhixia Li; Madhusudan Tyagi; Mauro C. C. Ribeiro; Y Z

J. Chem. Phys. 150, 144506 (2019) https://doi.org/10.1063/1.5081684

Abstract

View articletitled, Spatial and thermal signatures of <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="bold-italic" xmlns="">α</mi></math> and <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="bold-italic" xmlns="">β</mi></math> relaxations in glassy and glacial aliphatic ionic liquids

Supplementary Material

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CHORUS

Theoretical equations of state for a charged fluid

X. Sánchez-Monroy; J. Torres-Arenas; A. Gil-Villegas

J. Chem. Phys. 150, 144507 (2019) https://doi.org/10.1063/1.5063577

Abstract

View articletitled, Theoretical equations of state for a charged fluid

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Motion of active tracer in a lattice gas with cross-shaped particles

In Special Collection: Chemical Physics of Active Matter

Rakesh Chatterjee; Nimrod Segall; Carl Merrigan; Kabir Ramola; Bulbul Chakraborty; Yair Shokef

J. Chem. Phys. 150, 144508 (2019) https://doi.org/10.1063/1.5085769

Abstract

View articletitled, Motion of active tracer in a lattice gas with cross-shaped particles

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Nature of the floppy-to-rigid transition in chalcogenide glass-forming liquids

Sabyasachi Sen; Yiqing Xia; Weidi Zhu; Mark Lockhart; Bruce Aitken

J. Chem. Phys. 150, 144509 (2019) https://doi.org/10.1063/1.5092841

Abstract

View articletitled, Nature of the floppy-to-rigid transition in chalcogenide glass-forming liquids

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CHORUS

Molecular dynamics simulations of nano-confined methanol and methanol-water mixtures between infinite graphite plates: Structure and dynamics

Hamid Mosaddeghi; Saman Alavi; Mohammad H. Kowsari; Bijan Najafi; Sara Az’hari; Yaser Afshar

J. Chem. Phys. 150, 144510 (2019) https://doi.org/10.1063/1.5088030

Abstract

View articletitled, Molecular dynamics simulations of nano-confined methanol and methanol-water mixtures between infinite graphite plates: Structure and dynamics

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Surfaces, Interfaces, and Materials

Phase-sensitive sum frequency vibrational spectroscopic study of air/water interfaces: H₂O, D₂O, and diluted isotopic mixtures

In Special Collection: JCP Editors' Choice 2019 , Nonlinear Spectroscopy and Interfacial Structure and Dynamics

Xiaofan Xu; Y. Ron Shen; Chuanshan Tian

J. Chem. Phys. 150, 144701 (2019) https://doi.org/10.1063/1.5081135

Abstract

View articletitled, Phase-sensitive sum frequency vibrational spectroscopic study of air/water interfaces: H2O, D2O, and diluted isotopic mixtures

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A simple numerical approach for reconstructing the atomic stresses at grain boundaries from quantum-mechanical calculations

Yue Cui; Huck Beng Chew

J. Chem. Phys. 150, 144702 (2019) https://doi.org/10.1063/1.5085061

Abstract

View articletitled, A simple numerical approach for reconstructing the atomic stresses at grain boundaries from quantum-mechanical calculations

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Multiscale analysis of the effect of surface charge pattern on a nanopore’s rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck

Mónika Valiskó; Bartłomiej Matejczyk; Zoltán Ható; Tamás Kristóf; Eszter Mádai; Dávid Fertig; Dirk Gillespie; Dezső Boda

J. Chem. Phys. 150, 144703 (2019) https://doi.org/10.1063/1.5091789

Abstract

View articletitled, Multiscale analysis of the effect of surface charge pattern on a nanopore’s rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck

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Particle motion driven by non-uniform thermodynamic forces

Jérôme Burelbach

J. Chem. Phys. 150, 144704 (2019) https://doi.org/10.1063/1.5085739

Abstract

View articletitled, Particle motion driven by non-uniform thermodynamic forces

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Influence of film thickness on the stability of free-standing Lennard-Jones fluid films

José L. Rivera; Jack F. Douglas

J. Chem. Phys. 150, 144705 (2019) https://doi.org/10.1063/1.5086284

Abstract

View articletitled, Influence of film thickness on the stability of free-standing Lennard-Jones fluid films

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Local-structure effects on ³¹P NMR chemical shift tensors in solid state

Ivan Yu. Chernyshov; Mikhail V. Vener; Ilya G. Shenderovich

J. Chem. Phys. 150, 144706 (2019) https://doi.org/10.1063/1.5075519

Abstract

View articletitled, Local-structure effects on 31P NMR chemical shift tensors in solid state

Supplementary Material

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Polymers and Soft Matter

Transient superdiffusion of polydisperse vacuoles in highly motile amoeboid cells

In Special Collection: Chemical Physics of Active Matter

Samudrajit Thapa; Nils Lukat; Christine Selhuber-Unkel; Andrey G. Cherstvy; Ralf Metzler

J. Chem. Phys. 150, 144901 (2019) https://doi.org/10.1063/1.5086269

Abstract

View articletitled, Transient superdiffusion of polydisperse vacuoles in highly motile amoeboid cells

Supplementary Material

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Galvanic replacement induced electromotive force to propel Janus micromotors

In Special Collection: Chemical Physics of Active Matter

Julio Bastos-Arrieta; Christoph Bauer; Alexander Eychmüller; Juliane Simmchen

J. Chem. Phys. 150, 144902 (2019) https://doi.org/10.1063/1.5085838

Abstract

View articletitled, Galvanic replacement induced electromotive force to propel Janus micromotors

Supplementary Material

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Transport of active particles in an open-wedge channel

Lorenzo Caprini; Fabio Cecconi; Umberto Marini Bettolo Marconi

J. Chem. Phys. 150, 144903 (2019) https://doi.org/10.1063/1.5090104

Abstract

View articletitled, Transport of active particles in an open-wedge channel

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Investigation of structural ordering in network forming ionic liquids: A molecular dynamics study

Karthik Guda Vishnu; Alejandro Strachan

J. Chem. Phys. 150, 144904 (2019) https://doi.org/10.1063/1.5082186

Abstract

View articletitled, Investigation of structural ordering in network forming ionic liquids: A molecular dynamics study

Supplementary Material

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Phase separation and emergence of collective motion in a one-dimensional system of active particles

In Special Collection: Chemical Physics of Active Matter

Lucas Barberis; Fernando Peruani

J. Chem. Phys. 150, 144905 (2019) https://doi.org/10.1063/1.5085840

Abstract

View articletitled, Phase separation and emergence of collective motion in a one-dimensional system of active particles

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Analytic liquid state theory of the polymer-mediated depletion interaction between colloids beyond preaveraging approximation

A. I. Chervanyov

J. Chem. Phys. 150, 144906 (2019) https://doi.org/10.1063/1.5087202

Abstract

View articletitled, Analytic liquid state theory of the polymer-mediated depletion interaction between colloids beyond preaveraging approximation

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Excess entropy and long-time diffusion in colloidal fluids with short-range interparticle attraction

In Special Collection: JCP Editors' Choice 2019

Xiaoguang Ma; Jiachen Liu; Yikang Zhang; Piotr Habdas; A. G. Yodh

J. Chem. Phys. 150, 144907 (2019) https://doi.org/10.1063/1.5091564

Abstract

View articletitled, Excess entropy and long-time diffusion in colloidal fluids with short-range interparticle attraction

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CHORUS

Bacterial chromosome organization. I. Crucial role of release of topological constraints and molecular crowders

Tejal Agarwal; G. P. Manjunath; Farhat Habib; Apratim Chatterji

J. Chem. Phys. 150, 144908 (2019) https://doi.org/10.1063/1.5058214

Abstract

View articletitled, Bacterial chromosome organization. I. Crucial role of release of topological constraints and molecular crowders

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Bacterial chromosome organization. II. Few special cross-links, cell confinement, and molecular crowders play the pivotal roles

Tejal Agarwal; G. P. Manjunath; Farhat Habib; Apratim Chatterji

J. Chem. Phys. 150, 144909 (2019) https://doi.org/10.1063/1.5058217

Abstract

View articletitled, Bacterial chromosome organization. II. Few special cross-links, cell confinement, and molecular crowders play the pivotal roles

Supplementary Material

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Biological Molecules and Networks

Free-energy analysis of the hydration and cosolvent effects on the $β$ -sheet aggregation through all-atom molecular dynamics simulation

Keiichi Masutani; Yu Yamamori; Kang Kim; Nobuyuki Matubayasi

J. Chem. Phys. 150, 145101 (2019) https://doi.org/10.1063/1.5088395

Abstract

View articletitled, Free-energy analysis of the hydration and cosolvent effects on the <math xmlns="http://www.w3.org/1998/Math/MathML"><mi mathvariant="bold-italic" xmlns="">β</mi></math>-sheet aggregation through all-atom molecular dynamics simulation

Supplementary Material

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LETTERS TO THE EDITOR

Errata

Erratum: “Homogeneous and inhomogeneous broadenings and the Voigt line shapes in the phase-resolved and intensity sum-frequency generation vibrational spectroscopy” [J. Chem. Phys. 144, 034704 (2016)]

Shun-Li Chen; Li Fu; Wei Gan; Hong-Fei Wang

J. Chem. Phys. 150, 149901 (2019) https://doi.org/10.1063/1.5096906

Extract

View articletitled, Erratum: “Homogeneous and inhomogeneous broadenings and the Voigt line shapes in the phase-resolved and intensity sum-frequency generation vibrational spectroscopy” [J. Chem. Phys. 144, 034704 (2016)]

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Issues

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COMMUNICATIONS

ARTICLES

Theoretical Methods and Algorithms

Advanced Experimental Techniques

Atoms, Molecules, and Clusters

Liquids, Glasses, and Crystals

Surfaces, Interfaces, and Materials

Polymers and Soft Matter

Biological Molecules and Networks

LETTERS TO THE EDITOR

Errata

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