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Journal Articles

Effects of chain–chain interaction on the configuration of short-chain alkanethiol self-assembled monolayers on a metal surface

Chia-Li Liao, Syed Mohammed Faizanuddin, Jun Haruyama, Wei-Ssu Liao, Yu-Chieh Wen

J. Chem. Phys. 160, 214711 (2024)

https://doi.org/10.1063/5.0214261

Published: June 2024

View article titled, Effects of chain–chain interaction on the configuration of short-chain alkanethiol self-assembled monolayers on a metal surface

Journal Articles

Differential local ordering of mixed crowders determines effective size and stability of ss-DNA capped gold nanoparticle

Sibasankar Panigrahy, Divya Nayar

J. Chem. Phys. 160, 014901 (2024)

https://doi.org/10.1063/5.0179238

Published: January 2024

View article titled, Differential local ordering of mixed crowders determines effective size and stability of ss-DNA capped gold nanoparticle

Includes: Supplementary data

Journal Articles

Theory of electrolyte solutions in a slit charged pore: Effects of structural interactions and specific adsorption of ions

Victoria A. Vasileva, Daria A. Mazur, Yury A. Budkov

J. Chem. Phys. 159, 024709 (2023)

https://doi.org/10.1063/5.0158247

Published: July 2023

View article titled, Theory of electrolyte solutions in a slit charged pore: Effects of structural interactions and specific adsorption of ions

Journal Articles

Scaling behavior for the detachment of a self-propelling filament from an attractive surface

Guo-qiang Feng, Wen-de Tian

J. Chem. Phys. 158, 164901 (2023)

https://doi.org/10.1063/5.0145868

Published: April 2023

View article titled, Scaling behavior for the detachment of a self-propelling filament from an attractive surface

Includes: Supplementary data

Journal Articles

Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

Eduarda Sangiogo Gil, Maurizio Persico, Giovanni Granucci

J. Chem. Phys. 157, 161101 (2022)

https://doi.org/10.1063/5.0122109

Published: October 2022

View article titled, Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

Includes: Supplementary data

Journal Articles

Full-dimensional quantum dynamics study of isotope effects for the H₂ + NH₂/ND₂/NHD and H₂/D₂/HD + NH₂ reactions

Xiaoren Zhang, Zhaojun Zhang, Fabien Gatti, Dong H. Zhang

J. Chem. Phys. 154, 074301 (2021)

https://doi.org/10.1063/5.0040002

Published: February 2021

View article titled, Full-dimensional quantum dynamics study of isotope effects for the H2 + NH2/ND2/NHD and H2/D2/HD + NH2 reactions

Journal Articles

Directing excited state dynamics via chemical substitution: A systematic study of π -donors and π -acceptors at a carbon–carbon double bond

Katherine R. Herperger, Anja Röder, Ryan J. MacDonell, Andrey E. Boguslavskiy, Anders B. Skov, Albert Stolow, Michael S. Schuurman

J. Chem. Phys. 153, 244307 (2020)

https://doi.org/10.1063/5.0031689

Published: December 2020

View article titled, Directing excited state dynamics via chemical substitution: A systematic study of π -donors and π -acceptors at a carbon–carbon double bond

Includes: Supplementary data

Journal Articles

Long-range correlations of polarization and number densities in dilute electrolytes

Akira Onuki

J. Chem. Phys. 153, 234501 (2020)

https://doi.org/10.1063/5.0030763

Published: December 2020

View article titled, Long-range correlations of polarization and number densities in dilute electrolytes

Journal Articles

Mixed quantum-classical treatment of electron transfer at electrocatalytic interfaces: Theoretical framework and conceptual analysis

Jun Huang

J. Chem. Phys. 153, 164707 (2020)

https://doi.org/10.1063/5.0009582

Published: October 2020

View article titled, Mixed quantum-classical treatment of electron transfer at electrocatalytic interfaces: Theoretical framework and conceptual analysis

Journal Articles

Investigation of the low-energy stereodynamics in the Ne(³P₂) + N₂, CO reactions

Junwen Zou, Andreas Osterwalder

J. Chem. Phys. 153, 104306 (2020)

https://doi.org/10.1063/5.0022053

Published: September 2020

View article titled, Investigation of the low-energy stereodynamics in the Ne(3P2) + N2, CO reactions

Journal Articles

Substituent effects on nonadiabatic excited state dynamics: Inertial, steric, and electronic effects in methylated butadienes

Ryan J. MacDonell, María E. Corrales, Andrey E. Boguslavskiy, Luis Bañares, Albert Stolow, Michael S. Schuurman

J. Chem. Phys. 152, 084308 (2020)

https://doi.org/10.1063/1.5139446

Published: February 2020

View article titled, Substituent effects on nonadiabatic excited state dynamics: Inertial, steric, and electronic effects in methylated butadienes

Includes: Supplementary data

Journal Articles

Exploring the sterically disfavored binding of acetylene to a geminal olefinic hydrogen-fluorine atom pair: The microwave spectrum and molecular structure of cis-1,2-difluoroethylene–acetylene

Helen O. Leung, Mark D. Marshall

J. Chem. Phys. 152, 034303 (2020)

https://doi.org/10.1063/1.5141073

Published: January 2020

View article titled, Exploring the sterically disfavored binding of acetylene to a geminal olefinic hydrogen-fluorine atom pair: The microwave spectrum and molecular structure of cis-1,2-difluoroethylene–acetylene

Includes: Supplementary data

Journal Articles

Diffusion of large particles through small pores: From entropic to enthalpic transport

Igor V. Bodrenko, Samuele Salis, Silvia Acosta-Gutierrez, Matteo Ceccarelli

J. Chem. Phys. 150, 211102 (2019)

https://doi.org/10.1063/1.5098868

Published: June 2019

View article titled, Diffusion of large particles through small pores: From entropic to enthalpic transport

Journal Articles

Hydrodynamic interactions dominate the structure of active swimmers’ pair distribution functions

Fabian Jan Schwarzendahl, Marco G. Mazza

J. Chem. Phys. 150, 184902 (2019)

https://doi.org/10.1063/1.5085755

Published: May 2019

View article titled, Hydrodynamic interactions dominate the structure of active swimmers’ pair distribution functions

Journal Articles

A strong dependence of the CH₃ internal rotation barrier on conformation in thioacetic acid: Microwave measurements and an energy decomposition analysis

C. J. Smith, Anna K. Huff, Huaiyu Zhang, Yirong Mo, Kenneth R. Leopold

J. Chem. Phys. 150, 134302 (2019)

https://doi.org/10.1063/1.5087718

Published: April 2019

View article titled, A strong dependence of the CH3 internal rotation barrier on conformation in thioacetic acid: Microwave measurements and an energy decomposition analysis

Includes: Supplementary data

Journal Articles

A molecular equation of state for alcohols which includes steric hindrance in hydrogen bonding

Bennett D. Marshall

J. Chem. Phys. 149, 044505 (2018)

https://doi.org/10.1063/1.5041454

Published: July 2018

View article titled, A molecular equation of state for alcohols which includes steric hindrance in hydrogen bonding

Journal Articles

Rotational-mode specific effects on the stereo-requirement in the reaction of prealigned-CHD₃(v₁ = 1; | JK = | 10 or | 1 ± 1 ) with the chlorine atom

Huilin Pan, Ondrej Tkac, Kopin Liu

J. Chem. Phys. 148, 244307 (2018)

https://doi.org/10.1063/1.5037892

Published: June 2018

View article titled, Rotational-mode specific effects on the stereo-requirement in the reaction of prealigned-CHD3(v1 = 1; | JK = | 10 or | 1 ± 1 ) with the chlorine atom

Journal Articles

Oil-water interfaces with surfactants: A systematic approach to determine coarse-grained model parameters

Tuan V. Vu, Dimitrios V. Papavassiliou

J. Chem. Phys. 148, 204704 (2018)

https://doi.org/10.1063/1.5022798

Published: May 2018

View article titled, Oil-water interfaces with surfactants: A systematic approach to determine coarse-grained model parameters

Journal Articles

Van der Waals interaction between perhalogenated ethylene and rare gas: A rotational study of chlorotrifluorethylene-argon

Yang Zheng (郑阳), Xiaolong Li (李小龙), Yan Jin (靳堰), Gang Feng (冯刚), Zhining Xia (夏之宁), Qian Gou (勾茜)

J. Chem. Phys. 148, 154302 (2018)

https://doi.org/10.1063/1.5024984

Published: April 2018

View article titled, Van der Waals interaction between perhalogenated ethylene and rare gas: A rotational study of chlorotrifluorethylene-argon

Includes: Supplementary data

Journal Articles

Steric effect in CO oxidation on Pt(111)

Hirokazu Ueta, Mitsunori Kurahashi

J. Chem. Phys. 147, 194705 (2017)

https://doi.org/10.1063/1.5001683

Published: November 2017

View article titled, Steric effect in CO oxidation on Pt(111)

NARROW

Topics

Effects of chain–chain interaction on the configuration of short-chain alkanethiol self-assembled monolayers on a metal surface

Differential local ordering of mixed crowders determines effective size and stability of ss-DNA capped gold nanoparticle

Theory of electrolyte solutions in a slit charged pore: Effects of structural interactions and specific adsorption of ions

Scaling behavior for the detachment of a self-propelling filament from an attractive surface

Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls

Full-dimensional quantum dynamics study of isotope effects for the H₂ + NH₂/ND₂/NHD and H₂/D₂/HD + NH₂ reactions

Directing excited state dynamics via chemical substitution: A systematic study of π -donors and π -acceptors at a carbon–carbon double bond

Long-range correlations of polarization and number densities in dilute electrolytes

Mixed quantum-classical treatment of electron transfer at electrocatalytic interfaces: Theoretical framework and conceptual analysis

Investigation of the low-energy stereodynamics in the Ne(³P₂) + N₂, CO reactions

Substituent effects on nonadiabatic excited state dynamics: Inertial, steric, and electronic effects in methylated butadienes

Exploring the sterically disfavored binding of acetylene to a geminal olefinic hydrogen-fluorine atom pair: The microwave spectrum and molecular structure of cis-1,2-difluoroethylene–acetylene

Diffusion of large particles through small pores: From entropic to enthalpic transport

Hydrodynamic interactions dominate the structure of active swimmers’ pair distribution functions

A strong dependence of the CH₃ internal rotation barrier on conformation in thioacetic acid: Microwave measurements and an energy decomposition analysis

A molecular equation of state for alcohols which includes steric hindrance in hydrogen bonding

Rotational-mode specific effects on the stereo-requirement in the reaction of prealigned-CHD₃(v₁ = 1; | JK = | 10 or | 1 ± 1 ) with the chlorine atom

Oil-water interfaces with surfactants: A systematic approach to determine coarse-grained model parameters

Van der Waals interaction between perhalogenated ethylene and rare gas: A rotational study of chlorotrifluorethylene-argon

Steric effect in CO oxidation on Pt(111)

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