1-20 of 83072
Chemical physics
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Adaptive excitation frequencies in simulations of resonance Raman spectra

Available to Purchase
James R. Cheeseman, Petr Bouř
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034118 (2025)
https://doi.org/10.1063/5.0274585
Published: July 2025
View article titled, Adaptive excitation frequencies in simulations of resonance Raman spectra
Open the PDF for Adaptive excitation frequencies in simulations of resonance Raman spectra in another window
Journal Articles

Spectroscopic signatures of biexcitons: A case study in Ruddlesden–Popper lead-halides

FeaturedAvailable to Purchase
Katherine A. Koch, Esteban Rojas-Gatjens, Martín Gómez-Dominguez, Juan-Pablo Correa-Baena, Carlos Silva-Acuña, Ajay Ram Srimath Kandada
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034202 (2025)
https://doi.org/10.1063/5.0271075
Published: July 2025
View article titled, Spectroscopic signatures of biexcitons: A case study in Ruddlesden–Popper lead-halides
Open the PDF for Spectroscopic signatures of biexcitons: A case study in Ruddlesden–Popper lead-halides in another window
Journal Articles

Ultrabroad resonance of localized plasmon on a nanoparticle coupled with surface plasmon on a nanowire enabling two-photon excited emission via continuous-wave laser

Available to Purchase
Tamitake Itoh, Yuko S. Yamamoto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034711 (2025)
https://doi.org/10.1063/5.0276443
Published: July 2025
View article titled, Ultrabroad resonance of localized plasmon on a nanoparticle coupled with surface plasmon on a nanowire enabling two-photon excited emission via continuous-wave laser
Open the PDF for Ultrabroad resonance of localized plasmon on a nanoparticle coupled with surface plasmon on a nanowire enabling two-photon excited emission via continuous-wave laser in another window
Journal Articles

Radiation stability and defect characteristics of CsPbBr3 perovskite crystals for room temperature radiation detection

Available to Purchase
Zhifu Liu, John A. Peters, Khasim Saheb Bayikadi, Safdar Imam, Douglas E. Wolfe, Mercouri G. Kanatzidis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034710 (2025)
https://doi.org/10.1063/5.0271053
Published: July 2025
View article titled, Radiation stability and defect characteristics of CsPbBr3 perovskite crystals for room temperature radiation detection
Open the PDF for Radiation stability and defect characteristics of CsPbBr3 perovskite crystals for room temperature radiation detection in another window
Journal Articles

Collision-induced spectroscopy and radiative association in microcavities

Available to Purchase
Tuan H. Nguyen, Raphael F. Ribeiro
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034114 (2025)
https://doi.org/10.1063/5.0271753
Published: July 2025
View article titled, Collision-induced spectroscopy and radiative association in microcavities
Open the PDF for Collision-induced spectroscopy and radiative association in microcavities in another window
Journal Articles

Experimental and theoretical study of highly excited states of the cesium dimer

Available to Purchase
B. A. Rowe, J. T. Stahovich, S. Magnier, V. B. Sovkov, A. B. Nikolov, S. Whang, A. D. Hersh, P. L. Wardach, J. D. Keen, A. M. Lyyra, E. H. Ahmed
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034309 (2025)
https://doi.org/10.1063/5.0280444
Published: July 2025
View article titled, Experimental and theoretical study of highly excited states of the cesium dimer
Open the PDF for Experimental and theoretical study of highly excited states of the cesium dimer in another window
Journal Articles

Effect of particle shape on stratification in drying films of binary colloidal mixtures

Editor’s PickAvailable to Purchase
Binghan Liu, Gary S. Grest, Shengfeng Cheng
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034904 (2025)
https://doi.org/10.1063/5.0270685
Published: July 2025
View article titled, Effect of particle shape on stratification in drying films of binary colloidal mixtures
Open the PDF for Effect of particle shape on stratification in drying films of binary colloidal mixtures in another window
Journal Articles

Implicit neural representations for chemical reaction paths

Open Access
Kalyan Ramakrishnan, Lars L. Schaaf, Chen Lin, Guangrun Wang, Philip Torr
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034109 (2025)
https://doi.org/10.1063/5.0267023
Published: July 2025
View article titled, Implicit neural representations for chemical reaction paths
Open the PDF for Implicit neural representations for chemical reaction paths in another window
Journal Articles

Ab initio molecular dynamics investigation on Zr corrosion in aqueous environments: The effects of temperature, boric acid, and alloying element Nb

Available to Purchase
Jun Zhang, Junqin Liang, Zhongcun Chen, Linfeng Gao, Yaolin Zhao, Yuqi Wang, Chenxi Yu, Yufei Wu, Haibin Mou, Xumou Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034705 (2025)
https://doi.org/10.1063/5.0269450
Published: July 2025
View article titled, Ab initio molecular dynamics investigation on Zr corrosion in aqueous environments: The effects of temperature, boric acid, and alloying element Nb
Open the PDF for Ab initio molecular dynamics investigation on Zr corrosion in aqueous environments: The effects of temperature, boric acid, and alloying element Nb in another window
Journal Articles

Dynamical classification of metallic supercooled liquids: Critical cooling rates and entropic signatures

Available to Purchase
B. Zhang, D. M. Zhang, D. Y. Sun, X. G. Gong
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034504 (2025)
https://doi.org/10.1063/5.0271636
Published: July 2025
View article titled, Dynamical classification of metallic supercooled liquids: Critical cooling rates and entropic signatures
Open the PDF for Dynamical classification of metallic supercooled liquids: Critical cooling rates and entropic signatures in another window
Journal Articles

r2SCAN+rVV10+U parameterization for 3d transition metal sulfides for thermochemistry

Available to Purchase
Brian Donovan, Alan West, Alexander Urban
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034707 (2025)
https://doi.org/10.1063/5.0265659
Published: July 2025
View article titled, r2SCAN+rVV10+U parameterization for 3d transition metal sulfides for thermochemistry
Open the PDF for r2SCAN+rVV10+U parameterization for 3d transition metal sulfides for thermochemistry in another window
Journal Articles

Osmolyte-modulated differential capacitance and disjoining pressure for nanoconfined electrolytes: A modified Poisson–Boltzmann theory

Available to Purchase
Victoria A. Vasileva, Daria A. Mazur, Petr E. Brandyshev, Yury A. Budkov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034709 (2025)
https://doi.org/10.1063/5.0276376
Published: July 2025
View article titled, Osmolyte-modulated differential capacitance and disjoining pressure for nanoconfined electrolytes: A modified Poisson–Boltzmann theory
Open the PDF for Osmolyte-modulated differential capacitance and disjoining pressure for nanoconfined electrolytes: A modified Poisson–Boltzmann theory in another window
Journal Articles

Universal diabatic representation of operators using Cnv/Dnh symmetry. I. General derivation

Available to Purchase
Jean Paul Nshuti, David M. G. Williams, Alexandra Viel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034112 (2025)
https://doi.org/10.1063/5.0278678
Published: July 2025
View article titled, Universal diabatic representation of operators using Cnv/Dnh symmetry. I. General derivation
Open the PDF for Universal diabatic representation of operators using Cnv/Dnh symmetry. I. General derivation in another window
Journal Articles

Quantification of the basis set error for molecules in strong magnetic fields and general orientation

Open Access
Raunak Farhaz, Florian A. Bischoff, Simon Blaschke, Stella Stopkowicz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034308 (2025)
https://doi.org/10.1063/5.0274736
Published: July 2025
View article titled, Quantification of the basis set error for molecules in strong magnetic fields and general orientation
Open the PDF for Quantification of the basis set error for molecules in strong magnetic fields and general orientation in another window
Journal Articles

Characterizing the embedded states of a fluorescent probe within a lipid bilayer using molecular dynamics simulations

Available to Purchase
Ryo Okabe, Natsuumi Ito, Yuya Matsubara, Nozomi Morishita Watanabe, Hiroshi Umakoshi, Kento Kasahara, Nobuyuki Matubayasi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034708 (2025)
https://doi.org/10.1063/5.0279530
Published: July 2025
View article titled, Characterizing the embedded states of a fluorescent probe within a lipid bilayer using molecular dynamics simulations
Open the PDF for Characterizing the embedded states of a fluorescent probe within a lipid bilayer using molecular dynamics simulations in another window
Journal Articles

Stochastic model for the kinetic rate constants of bimolecular exchange reactions

Open Access
Leonardo Moriconi, Mirco Zerbetto, Diego Frezzato
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034104 (2025)
https://doi.org/10.1063/5.0270629
Published: July 2025
View article titled, Stochastic model for the kinetic rate constants of bimolecular exchange reactions
Open the PDF for Stochastic model for the kinetic rate constants of bimolecular exchange reactions in another window
Journal Articles

Imperfect diffusion-controlled reactions on a torus and on a pair of balls

Available to Purchase
Denis S. Grebenkov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034106 (2025)
https://doi.org/10.1063/5.0278477
Published: July 2025
View article titled, Imperfect diffusion-controlled reactions on a torus and on a pair of balls
Open the PDF for Imperfect diffusion-controlled reactions on a torus and on a pair of balls in another window
Journal Articles

Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature

Available to Purchase
Yijue Ding
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034306 (2025)
https://doi.org/10.1063/5.0276070
Published: July 2025
View article titled, Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature
Open the PDF for Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature in another window
Journal Articles

Development of a high bunch charge and high transverse coherence ultrafast electron source for structural studies of large-periodicity materials

Available to Purchase
Riyo Nagao, Gael Privault, Yusuke Arashida, Yui Iwasaki, Godai Noyama, Hiroo Suzuki, Yasuhiko Hayashi, Jun-ichi Fujita, Arnaud Arbouet, Masaki Hada
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034201 (2025)
https://doi.org/10.1063/5.0279426
Published: July 2025
View article titled, Development of a high bunch charge and high transverse coherence ultrafast electron source for structural studies of large-periodicity materials
Open the PDF for Development of a high bunch charge and high transverse coherence ultrafast electron source for structural studies of large-periodicity materials in another window
Journal Articles

Dynamics of energy-selected fragments from nucleobase–protein interaction molecular models revealed by combined photoelectron–photoion coincidence spectroscopy and theoretical simulation

Editor’s PickAvailable to Purchase
Mohammadhassan Valadan, Fulvio Perrella, Laura Carlini, Gabriele Iuzzolino, Jacopo Chiarinelli, Federico Coppola, Robert Richter, Carlo Schiano, Alessio Petrone, Paola Bolognesi, Lorenzo Avaldi, Carlo Altucci, Nadia Rega
Journal: The Journal of Chemical Physics
J. Chem. Phys. 163, 034305 (2025)
https://doi.org/10.1063/5.0276616
Published: July 2025
View article titled, Dynamics of energy-selected fragments from nucleobase–protein interaction molecular models revealed by combined photoelectron–photoion coincidence spectroscopy and theoretical simulation
Open the PDF for Dynamics of energy-selected fragments from nucleobase–protein interaction molecular models revealed by combined photoelectron–photoion coincidence spectroscopy and theoretical simulation in another window