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Journal Articles

Manipulation of hot-carrier cooling dynamics in CsPbBr₃ quantum dots via site-selective ligand engineering

Hui Li, Jiachen Zhang, Qun Zhang

J. Chem. Phys. 159, 214707 (2023)

https://doi.org/10.1063/5.0175915

Published: December 2023

View article titled, Manipulation of hot-carrier cooling dynamics in CsPbBr3 quantum dots via site-selective ligand engineering

Includes: Supplementary data

Journal Articles

Sterically attenuated electronic communication in cobalt complexes of meridional isoquinoline-derived ligands for applications in electrocatalysis

Amelia G. Reid, Megan E. Moberg, Connor A. Koellner, Charles W. Machan, Diana A. Thornton, John C. Dickenson, Jeffry J. Stober, David A. Turner, Travis J. Tarring, Caleb A. Brown, Daniel P. Harrison

J. Chem. Phys. 159, 194306 (2023)

https://doi.org/10.1063/5.0174177

Published: November 2023

View article titled, Sterically attenuated electronic communication in cobalt complexes of meridional isoquinoline-derived ligands for applications in electrocatalysis

Includes: Supplementary data

Journal Articles

Elucidating protein–ligand binding kinetics based on returning probability theory

Kento Kasahara, Ren Masayama, Kazuya Okita, Nobuyuki Matubayasi

J. Chem. Phys. 159, 134103 (2023)

https://doi.org/10.1063/5.0165692

Published: October 2023

View article titled, Elucidating protein–ligand binding kinetics based on returning probability theory

Includes: Supplementary data

Journal Articles

Capture of small clusters by ligand–solvent interaction

Ming-Yu Zhang, An-An Liu, Luyang Jiao, Shuhan Zhang, Lin-Han Jiang, Xianglei Kong, Dai-Wen Pang

J. Chem. Phys. 159, 064301 (2023)

https://doi.org/10.1063/5.0155373

Published: August 2023

View article titled, Capture of small clusters by ligand–solvent interaction

Includes: Supplementary data

Journal Articles

Elimination of the bias-stress effect in ligand-free quantum dot field-effect transistors

Jason Tolentino, Markelle Gibbs, Alex Abelson, Matt Law

J. Chem. Phys. 159, 044709 (2023)

https://doi.org/10.1063/5.0152100

Published: July 2023

View article titled, Elimination of the bias-stress effect in ligand-free quantum dot field-effect transistors

Includes: Supplementary data

Journal Articles

A deep encoder–decoder framework for identifying distinct ligand binding pathways

Satyabrata Bandyopadhyay, Jagannath Mondal

J. Chem. Phys. 158, 194103 (2023)

https://doi.org/10.1063/5.0145197

Published: May 2023

View article titled, A deep encoder–decoder framework for identifying distinct ligand binding pathways

Includes: Supplementary data

Journal Articles

Effect of a redox-mediating ligand shell on photocatalysis by CdS quantum dots

Florence Y. Dou, Samantha M. Harvey, Konstantina G. Mason, Micaela K. Homer, Daniel R. Gamelin, Brandi M. Cossairt

J. Chem. Phys. 158, 184705 (2023)

https://doi.org/10.1063/5.0144896

Published: May 2023

View article titled, Effect of a redox-mediating ligand shell on photocatalysis by CdS quantum dots

Includes: Supplementary data

Journal Articles

Quantum dynamics reveal different ligand effects by vibrational excitation in the dissociative chemisorption of HCl on the Au/Ag(111) surface

Tianhui Liu, Huixia Shi, Bina Fu, Dong H. Zhang

J. Chem. Phys. 157, 244702 (2022)

https://doi.org/10.1063/5.0131503

Published: December 2022

View article titled, Quantum dynamics reveal different ligand effects by vibrational excitation in the dissociative chemisorption of HCl on the Au/Ag(111) surface

Journal Articles

Ligand additivity relationships enable efficient exploration of transition metal chemical space

Naveen Arunachalam, Stefan Gugler, Michael G. Taylor, Chenru Duan, Aditya Nandy, Jon Paul Janet, Ralf Meyer, Jonas Oldenstaedt, Daniel B. K. Chu, Heather J. Kulik

J. Chem. Phys. 157, 184112 (2022)

https://doi.org/10.1063/5.0125700

Published: November 2022

View article titled, Ligand additivity relationships enable efficient exploration of transition metal chemical space

Includes: Supplementary data

Journal Articles

Impact of ligand deformation on the P , T -violation effects in the YbOH molecule

Anna Zakharova, Alexander Petrov

J. Chem. Phys. 157, 154310 (2022)

https://doi.org/10.1063/5.0121110

Published: October 2022

View article titled, Impact of ligand deformation on the P , T -violation effects in the YbOH molecule

Journal Articles

Structural prediction of anion thiolate protected gold clusters of [Au_28+7n(SR)_17+3n]⁻ (n = 0–4)

Endong Wang, Junxia Ding, Wenhua Han, Shixia Luan

J. Chem. Phys. 157, 124303 (2022)

https://doi.org/10.1063/5.0105226

Published: September 2022

View article titled, Structural prediction of anion thiolate protected gold clusters of [Au28+7n(SR)17+3n]− (n = 0–4)

Includes: Supplementary data

Journal Articles

Sliding across a surface: Particles with fixed and mobile ligands

Janna Lowensohn, Laurie Stevens, Daniel Goldstein, Bortolo Matteo Mognetti

J. Chem. Phys. 156, 164902 (2022)

https://doi.org/10.1063/5.0084848

Published: April 2022

View article titled, Sliding across a surface: Particles with fixed and mobile ligands

Includes: Supplementary data

Journal Articles

Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling

Yunhui Ge, Vincent A. Voelz

J. Chem. Phys. 156, 134115 (2022)

https://doi.org/10.1063/5.0088024

Published: April 2022

View article titled, Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling

Journal Articles

Modeling of effective interactions between ligand coated nanoparticles through symmetry functions

Dinesh Chintha, Shivanand Kumar Veesam, Emanuele Boattini, Laura Filion, Sudeep N. Punnathanam

J. Chem. Phys. 155, 244901 (2021)

https://doi.org/10.1063/5.0072272

Published: December 2021

View article titled, Modeling of effective interactions between ligand coated nanoparticles through symmetry functions

Journal Articles

Ligand removal of Au₂₅ nanoclusters by thermal and electrochemical treatments for selective CO₂ electroreduction to CO

Shouping Chen, Mufan Li, Sunmoon Yu, Sheena Louisia, Wesley Chuang, Mengyu Gao, Chubai Chen, Jianbo Jin, Miquel B. Salmeron, Peidong Yang

J. Chem. Phys. 155, 051101 (2021)

https://doi.org/10.1063/5.0059363

Published: August 2021

View article titled, Ligand removal of Au25 nanoclusters by thermal and electrochemical treatments for selective CO2 electroreduction to CO

Includes: Supplementary data

Journal Articles

Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules

Keisuke Hisama, Yuuichi Orimoto, Anna Pomogaeva, Kazuhiko Nakatani, Yuriko Aoki

J. Chem. Phys. 155, 044110 (2021)

https://doi.org/10.1063/5.0050096

Published: July 2021

View article titled, Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules

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Topics

Manipulation of hot-carrier cooling dynamics in CsPbBr₃ quantum dots via site-selective ligand engineering

Sterically attenuated electronic communication in cobalt complexes of meridional isoquinoline-derived ligands for applications in electrocatalysis

Elucidating protein–ligand binding kinetics based on returning probability theory

Capture of small clusters by ligand–solvent interaction

Elimination of the bias-stress effect in ligand-free quantum dot field-effect transistors

A deep encoder–decoder framework for identifying distinct ligand binding pathways

Effect of a redox-mediating ligand shell on photocatalysis by CdS quantum dots

Quantum dynamics reveal different ligand effects by vibrational excitation in the dissociative chemisorption of HCl on the Au/Ag(111) surface

Ligand additivity relationships enable efficient exploration of transition metal chemical space

Impact of ligand deformation on the P , T -violation effects in the YbOH molecule

Structural prediction of anion thiolate protected gold clusters of [Au_28+7n(SR)_17+3n]⁻ (n = 0–4)

Sliding across a surface: Particles with fixed and mobile ligands

Estimation of binding rates and affinities from multiensemble Markov models and ligand decoupling

Modeling of effective interactions between ligand coated nanoparticles through symmetry functions

Ligand removal of Au₂₅ nanoclusters by thermal and electrochemical treatments for selective CO₂ electroreduction to CO

Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand molecules