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Journal Articles

Transient nucleation driven by solvent evaporation

René de Bruijn, Jasper J. Michels, Paul van der Schoot
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084505 (2024)
https://doi.org/10.1063/5.0186395
Published: February 2024
View article titled, Transient nucleation driven by solvent evaporation
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Includes: Supplementary data
Journal Articles

CNT effective interfacial energy and pre-exponential kinetic factor from measured NaCl crystal nucleation time distributions in contracting microdroplets

Scilight
Ruel Cedeno, Romain Grossier, Nadine Candoni, Nicolas Levernier, Adrian E. Flood, Stéphane Veesler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 194705 (2023)
https://doi.org/10.1063/5.0143704
Published: May 2023
View article titled, CNT effective interfacial energy and pre-exponential kinetic factor from measured NaCl crystal nucleation time distributions in contracting microdroplets
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Includes: Supplementary data
Journal Articles

IrO2 as a promising support to boost oxygen reduction reaction on Pt in acid under high temperature conditions

Bing Yu Liu, Wei Chen, Xu-Xu Ye, Jun Cai, Yan-Xia Chen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134710 (2023)
https://doi.org/10.1063/5.0145416
Published: April 2023
View article titled, IrO<sub>2</sub> as a promising support to boost oxygen reduction reaction on Pt in acid under high temperature conditions
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Journal Articles

Catalysis of hydrogen evolution on Pt(111) by absorbed hydrogen

Jie Wei, Zheng-da He, Wei Chen, Yan-Xia Chen, Elizabeth Santos, Wolfgang Schmickler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 181101 (2021)
https://doi.org/10.1063/5.0072069
Published: November 2021
View article titled, Catalysis of hydrogen evolution on Pt(111) by absorbed hydrogen
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Journal Articles

Solution to the Kramers barrier crossing problem caused by two noises: Thermal noise and Poisson white noise

Tarun Gera, K. L. Sebastian
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 014902 (2021)
https://doi.org/10.1063/5.0056506
Published: July 2021
View article titled, Solution to the Kramers barrier crossing problem caused by two noises: Thermal noise and Poisson white noise
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Includes: Supplementary data
Journal Articles

Donor–acceptor complex formation in tetra-n-butylammonium chloride: n-decanoic acid deep eutectic solvent

Divya Dhingra, Vaishali Khokhar, Shreya Juneja, Siddharth Pandey
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 164513 (2021)
https://doi.org/10.1063/5.0051395
Published: April 2021
View article titled, Donor–acceptor complex formation in tetra-<em>n</em>-butylammonium chloride: <em>n</em>-decanoic acid deep eutectic solvent
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Includes: Supplementary data
Journal Articles

Factors correlating to enhanced surface diffusion in metallic glasses

Ajay Annamareddy, Yuhui Li, Lian Yu, Paul M. Voyles, Dane Morgan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 104502 (2021)
https://doi.org/10.1063/5.0039078
Published: March 2021
View article titled, Factors correlating to enhanced surface diffusion in metallic glasses
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Includes: Supplementary data
Journal Articles

Nucleation work, surface tension, and Gibbs–Tolman length for nucleus of any size

Dimo Kashchiev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 124509 (2020)
https://doi.org/10.1063/5.0021337
Published: September 2020
View article titled, Nucleation work, surface tension, and Gibbs–Tolman length for nucleus of any size
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Journal Articles

Computer program ATOM-MOL-nonBO for performing calculations of ground and excited states of atoms and molecules without assuming the Born–Oppenheimer approximation using all-particle complex explicitly correlated Gaussian functions

Sergiy Bubin, Ludwik Adamowicz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 204102 (2020)
https://doi.org/10.1063/1.5144268
Published: May 2020
View article titled, Computer program ATOM-MOL-nonBO for performing calculations of ground and excited states of atoms and molecules without assuming the Born–Oppenheimer approximation using all-particle complex explicitly correlated Gaussian functions
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Includes: Supplementary data
Journal Articles

The reaction of propylene to propylene-oxide on CeO2: An FTIR spectroscopy and temperature programmed desorption study

S. M. Bashir, H. Idriss
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 044712 (2020)
https://doi.org/10.1063/1.5140544
Published: January 2020
View article titled, The reaction of propylene to propylene-oxide on CeO<sub>2</sub>: An FTIR spectroscopy and temperature programmed desorption study
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Includes: Supplementary data
Journal Articles

Particle size effect on the Langmuir-Hinshelwood barrier for CO oxidation on regular arrays of Pd clusters supported on ultrathin alumina films

Georges Sitja, Héloïse Tissot, Claude R. Henry
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 174703 (2019)
https://doi.org/10.1063/1.5125572
Published: November 2019
View article titled, Particle size effect on the Langmuir-Hinshelwood barrier for CO oxidation on regular arrays of Pd clusters supported on ultrathin alumina films
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Journal Articles

Semiclassical vibrational spectroscopy with Hessian databases

Riccardo Conte, Fabio Gabas, Giacomo Botti, Yu Zhuang, Michele Ceotto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 244118 (2019)
https://doi.org/10.1063/1.5109086
Published: June 2019
View article titled, Semiclassical vibrational spectroscopy with Hessian databases
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Journal Articles

Van der Waals density functional study of formic acid adsorption and decomposition on Cu(111)

Septia Eka Marsha Putra, Fahdzi Muttaqien, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 154707 (2019)
https://doi.org/10.1063/1.5087420
Published: April 2019
View article titled, Van der Waals density functional study of formic acid adsorption and decomposition on Cu(111)
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Includes: Supplementary data
Journal Articles

First principles studies of self-diffusion processes on metallic lithium surfaces

Daniel Gaissmaier, Donato Fantauzzi, Timo Jacob
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 041723 (2019)
https://doi.org/10.1063/1.5056226
Published: December 2018
View article titled, First principles studies of self-diffusion processes on metallic lithium surfaces
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Includes: Supplementary data
Journal Articles

Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions

Luiz F. L. Oliveira, Christopher D. Fu, Jim Pfaendtner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 154101 (2018)
https://doi.org/10.1063/1.5021359
Published: April 2018
View article titled, Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions
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Includes: Supplementary data
Journal Articles

Nucleation study for an undercooled melt of intermetallic NiZr

R. Kobold, M. Kolbe, W. Hornfeck, D. M. Herlach
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 114502 (2018)
https://doi.org/10.1063/1.5018135
Published: March 2018
View article titled, Nucleation study for an undercooled melt of intermetallic NiZr
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Journal Articles

“Divide and conquer” semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems

Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 014307 (2018)
https://doi.org/10.1063/1.5010388
Published: January 2018
View article titled, “Divide and conquer” semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems
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Journal Articles

Electrode reactions in slowly relaxing media

Dmitry V. Matyushov, Marshall D. Newton
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 194506 (2017)
https://doi.org/10.1063/1.5003022
Published: November 2017
View article titled, Electrode reactions in slowly relaxing media
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Includes: Supplementary data
Journal Articles

Phase separation of triethylamine and water in native and organically modified silica nanopores

J. Rachel Prado, Sergey Vyazovkin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 114508 (2017)
https://doi.org/10.1063/1.5003906
Published: September 2017
View article titled, Phase separation of triethylamine and water in native and organically modified silica nanopores
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Journal Articles

Primary α and secondary β relaxation dynamics of meta-toluidine in the liquid state investigated by broadband dielectric spectroscopy

H. Švajdlenková, A. Ruff, P. Lunkenheimer, A. Loidl, J. Bartoš
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 084506 (2017)
https://doi.org/10.1063/1.5000257
Published: August 2017
View article titled, Primary α and secondary β relaxation dynamics of <em>meta-toluidine</em> in the liquid state investigated by broadband dielectric spectroscopy
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