Ghent University Academic Bibliography

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A tight-binding model for illustrating exciton confinement in semiconductor nanocrystals

Zeger Hens (UGent) and C. D. Delerue

(2024) JOURNAL OF CHEMICAL PHYSICS. 160(11).
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GBasis : a Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions

Taewon David Kim, Leila Pujal, Michelle Richer, Maximilian van Zyl, Marco Martínez-González, Alireza Tehrani, Valerii Chuiko, Gabriela Sánchez-Diaz, Wesley Sanchez, William Adams, et al.

(2024) JOURNAL OF CHEMICAL PHYSICS. 161(4).
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Grid : a Python library for molecular integration, interpolation, differentiation, and more

Alireza Tehrani, Xiaotian Derrick Yang, Marco Martínez-González, Leila Pujal, Raymundo Hernández-Esparza, Matthew Chan, Esteban Vöhringer-Martinez, Toon Verstraelen (UGent) , Paul W. Ayers and Farnaz Heidar Zadeh (UGent)

(2024) JOURNAL OF CHEMICAL PHYSICS. 160(17).
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The tale of HORTON : lessons learned in a decade of scientific software development

Matthew Chan, Toon Verstraelen (UGent) , Alireza Tehrani, Michelle Richer, Xiaotian Derrick Yang, Taewon David Kim, Esteban Vöhringer-Martinez, Farnaz Heidar Zadeh (UGent) and Paul W. Ayers

(2024) JOURNAL OF CHEMICAL PHYSICS. 160(16).
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Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots

Ashley M. Stingel, Jari Leemans, Zeger Hens (UGent) , Pieter Geiregat (UGent) and Poul B. Petersen

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(11).
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A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials

Pieter Schiettecatte (UGent) , Zeger Hens (UGent) and Pieter Geiregat (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(1).
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Development of accurate potentials for the physisorption of water on graphene

Jelle Vekeman (UGent) , Inmaculada García Cuesta, Noelia Faginas-Lago, José Sánchez-Marín and Alfredo M. J. Sánchez de Merás

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(2).
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A step toward correct interpretation of XPS results in metal oxides : a case study aided by first-principles method in ZnO

Jin Li (UGent) , Michael Nolan and Christophe Detavernier (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 159(3).
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The significance of fluctuating charges for molecular polarizability and dispersion coefficients

YingXing Cheng and Toon Verstraelen (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 159(9).
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Mechanistic study of ZnSe nanocrystal formation from zinc halides

Leila Mingabudinova (UGent) , Luca Giordano (UGent) , Mickaël Tessier (UGent) , Zeger Hens (UGent) and Pieter Schiettecatte (UGent)

(2023) JOURNAL OF CHEMICAL PHYSICS. 158(22).

Academic Bibliography

A tight-binding model for illustrating exciton confinement in semiconductor nanocrystals

GBasis : a Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions

Grid : a Python library for molecular integration, interpolation, differentiation, and more

The tale of HORTON : lessons learned in a decade of scientific software development

Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots

A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials

Development of accurate potentials for the physisorption of water on graphene

A step toward correct interpretation of XPS results in metal oxides : a case study aided by first-principles method in ZnO

The significance of fluctuating charges for molecular polarizability and dispersion coefficients

Mechanistic study of ZnSe nanocrystal formation from zinc halides

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