Onderzoeker
Patrick Bultinck
- Trefwoorden:Quantumchemie, Spectroscopie
- Disciplines:Statistische mechanica in de chemie, Theoretische en computationele chemie niet elders geclassificeerd, Kwantumchemie, Fysische chemie niet elders geclassificeerd, (Bio)moleculaire modellering en design, Moleculaire fysica
Affiliaties
- Vakgroep Chemie (Departement)
Verantwoordelijke
Vanaf1 okt 2018 → Heden - Vakgroep Chemie (Departement)
Lid
Vanaf1 okt 2018 → Heden - Vakgroep Archeologie (Departement)
Lid
Vanaf1 jun 2017 → 30 sep 2017 - Vakgroep Chemie (Departement)
Lid
Vanaf1 okt 1993 → Heden
Publicaties
1 - 10 van 61
- Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning(2023)
Auteurs: Tom Vermeyen, Ana Cunha, Patrick Bultinck, Wouter Herrebout
- Three-dimensional fully pi-conjugated macrocycles : when 3D-aromatic and when 2D-aromatic-in-3D?(2022)
Auteurs: Ouissam El Bakouri, Dariusz W. Szczepanik, Kjell Jorner, Rabia Ayub, Patrick Bultinck, Miquel Sola, Henrik Ottosson
Pagina's: 8560 - 8575 - Chemical response functions in (quasi-)degenerate states(2022)
Auteurs: Patrick Bultinck, Carlos Cardenas, Shubin Liu
Pagina's: 93 - 109 - Constrained iterative Hirshfeld charges : a variational approach(2022)
Auteurs: Leila Pujal, Maximilian Van Zyl, Esteban Vöhringer-Martinez, Toon Verstraelen, Patrick Bultinck, Paul W. Ayers, Farnaz Heidar-Zadeh
- CFA-18 : a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules(2020)
Auteurs: Katharina Knippen, Bjoern Bredenkoetter, Lisa Kanschat, Maryana Kraft, Tom Vermeyen, Wouter Herrebout, Kunihisa Sugimoto, Patrick Bultinck, Dirk Volkmer
Pagina's: 15758 - 15768 - A new type of zoomorphic brooch : sculptural Gallo- Roman squirrel brooches with enamel inlay(2019)
Auteurs: Patrick Bultinck, Ann Verlaeckt, Stijn Heeren
Pagina's: 23 - 25 - Comparative study of the vibrational optical activity techniques in structure elucidation : the case of galantamine(2019)
Auteurs: Kourosch Abbaspour Tehrani, Wouter A. Herrebout, Patrick Bultinck, Christian Johannessen
Pagina's: 14133 - 14139 - Method for making 2-electron response reduced density matrices approximately N-representable(2018)
Auteurs: Caitlin Lanssens, Paul W Ayers, Dimitri Van Neck, Stijn De Baerdemacker, Klaas Gunst, Patrick Bultinck
- Covalency and ionicity do not oppose each other : relationship between Si-O bond character and basicity of siloxanes(2018)
Auteurs: Malte Fugel, Maxie F Hesse, Rumpa Pal, Jens Beckmann, Dylan Jayatilaka, Michael J Turner, Amir Karton, Patrick Bultinck, Graham S Chandler, Simon Grabowsky
Pagina's: 15275 - 15286 - Triplet state homoaromaticity : concept, computational validation and experimental relevance(2018)
Auteurs: Kjell Jorner, Burkhard O Jahn, Patrick Bultinck, Henrik Ottosson
Pagina's: 3165 - 3176