Related Experiment Videos
Accurate Intermolecular Potentials Obtained from Molecular Wave Functions: Bridging the Gap between Quantum Chemistry
O Engkvist1, P O Astrand, G Karlström
1Department of Theoretical Chemistry, Chemical Centre, University of Lund, P.O.B. 124, S-221 00 Lund, Sweden.
Chemical Reviews
|December 26, 2001
Abstract
No abstract available in PubMed .
Related Concept Videos
Articles linked to this work by shared authors, journal, and citation graph.
Building attention and edge message passing neural networks for bioactivity and physical-chemical property prediction.
Journal of cheminformatics·2021
Identifying opportunities to increase organ donation after brain death. An observational study in Sweden 2009-2014.
Acta anaesthesiologica Scandinavica·2016
Accuracy of distributed multipoles and polarizabilities: comparison between the LoProp and MpProp models.
Journal of computational chemistry·2007
Zero-point vibrational effects on proton shieldings: functional-group contributions from ab initio calculations.
Journal of the American Chemical Society·2001
Toward Polyoxometalate Nanoelectronics.
Chemical reviews·2026
Quantum Mechanical Studies of Photodissociation Dynamics on Quantum Computers.
The journal of physical chemistry letters·2026
Demystifying density functional theory for the crystal engineering community.
Acta crystallographica. Section C, Structural chemistry·2026
Quantitative evaluation of TD-DFT functionals for UV-vis spectroscopy in Ni and Co complexes.
Physical chemistry chemical physics : PCCP·2026
Synthesis and multimodal characterization of flavonols: electrochemical, spectroscopic, and DFT approaches.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy·2026