Ghent University Academic Bibliography

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Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions

Daria Van Hende (UGent) , Laurent Lemmens (UGent) , Stijn De Baerdemacker, Dimitri Van Neck (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2022) JOURNAL OF COMPUTATIONAL CHEMISTRY. 43(7). p.457-464
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GQCP : the Ghent quantum chemistry package

Laurent Lemmens (UGent) , Xeno De Vriendt (UGent) , Daria Van Hende (UGent) , Tobias Huysentruyt, Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2021) JOURNAL OF CHEMICAL PHYSICS. 155(8).
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Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains

Xeno De Vriendt (UGent) , Laurent Lemmens (UGent) , Stijn De Baerdemacker (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2021) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 17(11). p.6808-6818
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Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism

Tom Vermeyen, Jure Brence, Robin Van Echelpoel, Roy Aerts, Guillaume Acke (UGent) , Patrick Bultinck (UGent) and Wouter Herrebout

(2021) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 23(35). p.19781-19789
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CFA-18 : a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules

Katharina Knippen, Bjoern Bredenkoetter, Lisa Kanschat, Maryana Kraft, Tom Vermeyen, Wouter Herrebout, Kunihisa Sugimoto, Patrick Bultinck (UGent) and Dirk Volkmer

(2020) DALTON TRANSACTIONS. 49(44). p.15758-15768
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- Journal Article
- A1
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Richardson-Gaudin mean-field for strong correlation in quantum chemistry

Paul A. Johnson, Charles-Emile Fecteau, Frederic Berthiaume, Samuel Cloutier, Laurie Carrier, Marianne Gratton, Patrick Bultinck (UGent) , Stijn De Baerdemacker, Dimitri Van Neck (UGent) , Peter Limacher, et al.

(2020) JOURNAL OF CHEMICAL PHYSICS. 153(10).
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- Journal Article
- A1
- open access
Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators

Guillaume Acke (UGent) , Stijn De Baerdemacker, Angel Martin Pendas and Patrick Bultinck (UGent)

(2020) WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. 10(4).
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A combined Raman optical activity and vibrational circular dichroism study on artemisinin-type products

Jonathan Bogaerts, Filip Desmet, Roy Aerts, Patrick Bultinck (UGent) , Wouter Herrebout and Christian Johannessen

(2020) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 22(32). p.18014-18024
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- Journal Article
- A1
- open access
Absolute configuration and biological profile of pyrazoline enantiomers as MAO inhibitory activity

Umut Salgin Goksen, Sevgi Sarigul, Patrick Bultinck (UGent) , Wouter Herrebout, Ilknur Dogan, Kemal Yelekci, Gulberk Ucar and Nesrin Gokhan Kelekci

(2019) CHIRALITY. 31(1). p.21-33
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- Miscellaneous
Damme drukt zijn stempel

Patrick Bultinck (UGent) and Ann Verlaeckt

(2019) EX SITU. p.24-27

Academic Bibliography

Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions

GQCP : the Ghent quantum chemistry package

Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains

Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism

CFA-18 : a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules

Richardson-Gaudin mean-field for strong correlation in quantum chemistry

Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators

A combined Raman optical activity and vibrational circular dichroism study on artemisinin-type products

Absolute configuration and biological profile of pyrazoline enantiomers as MAO inhibitory activity

Damme drukt zijn stempel

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