Kris Van Alsenoy emeritus occasional assignment

Publications Kris Van Alsenoy

Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents

Source
Journal of molecular liquids - ISSN 0167-7322-367:B (2022) p. 1-8
Author(s)
    Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Sanja J. Armakovic, Stevan Armakovic, Christian Van Alsenoy, H.S. Yathirajan

Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid

Source
Journal of molecular structure - ISSN 0022-2860-1264 (2022) p. 1-17
Author(s)
    P.K. Ranjith, Angel Ignatious, C. Yohannan Panicker, B. Sureshkumar, Stevan Armakovic, Sanja J. Armakovic, Christian Van Alsenoy, P.L. Anto

DFT and molecular docking studies of self-assembly of sulfone analogues and graphene

Source
Journal of molecular modeling - ISSN 1610-2940-26:10 (2020) p. 1-8
Author(s)

DFT and MD simulations and molecular docking of co-crystals of octafluoro-1,4-diiodobutane with phenazine and acridine

Source
Structural chemistry - ISSN 1040-0400- () p. 1-7
Author(s)
    Y. Sheena Mary, Y. Shyma Mary, Vivek Chandramohan, Naveen Kumar, Christian Van Alsenoy, Maria Cristina Gamberini

An overview of self-consistent field calculations within finite basis sets

Source
Molecules: a journal of synthetic chemistry and natural product chemistry - ISSN 1420-3049-25:5 (2020) p. 1-23
Author(s)