- The linear response function as a descriptor of non-covalent interactions(2024)
Auteurs: Paul Geerlings, Kris Van Alsenoy, Frank De Proft
Pagina's: 1 - 12
- Empirical electronic polarizabilities for use in refractive index measurements at 589.3 nm: Hydroxyl polarizabilities(2023)
Auteurs: Robert D. Shannon, Reinhard X. Fischer, Kris Van Alsenoy
Pagina's: 1538 - 1546
- The challenging world of simple inorganic rings(2023)
Auteurs: Ana Cunha, Remco W.A. Havenith, Kris Van Alsenoy, Frank Blockhuys
Pagina's: 1 - 7
- Investigating the linear response function under approximations following the coupled-perturbed approach for atoms and molecules(2023)
Auteurs: Bin Wang, Paul Geerlings, Kris Van Alsenoy, Farnaz Heider-Zadeh, Paul W. Ayers, Frank De Proft
Pagina's: 3223 - 3236
- Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents(2022)
Auteurs: Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Sanja J. Armakovic, Stevan Armakovic, Kris Van Alsenoy, H.S. Yathirajan
Pagina's: 1 - 8
- 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(2022)
Auteurs: P.K. Ranjith, Angel Ignatious, C. Yohannan Panicker, B. Sureshkumar, Stevan Armakovic, Sanja J. Armakovic, Kris Van Alsenoy, P.L. Anto
Pagina's: 1 - 17
- An overview of self-consistent field calculations within finite basis sets(2020)
Auteurs: Susi Lehtola, Frank Blockhuys, Kris Van Alsenoy
Pagina's: 1 - 23
- Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools(2020)
Auteurs: Shargina Beegum, Y. Sheena Mary, Y. Shyma Mary, Renjith Thomas, Stevan Armakovíc, Sanja J. Armakovíc, Jan Zitko, Martin Dolezal, Kris Van Alsenoy
- Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea(2020)
Auteurs: Anna Bielenica, Shargina Beegum, Y. Sheena Mary, Y. Shyma Mary, Renjith Thomas, Stevan Armakovíc, Sanja J. Armakovíc, Silvia Madeddu, Marta Struga, Kris Van Alsenoy
- Synthesis, spectral properties, chemical descriptors and light harvesting studies of a new bioactive azo imidazole compound(2020)
Auteurs: Veena S. Kumar, Y. Sheena Mary, Kiran Pradhan, Dhiraj Brahman, Y. Shyma Mary, Renjith Thomas, M.S Roxy, Kris Van Alsenoy
