Risultati di ricerca
2 giorni fa · The present work proposes an extension to the approach of [Xi, C; et al. J. Chem. Theory Comput. 2022, 18, 6878] to calculate ion solvation free energies from first-principles (FP) molecular dynamics (MD) simulations of a hybrid solvation model. The approach is first re-expressed within the quasi-chemical theory of solvation. Then, to allow for longer simulation times than the original first ...
1 giorno fa · Elantas Beck India, a midcap chemical company, experienced a remarkable surge in its stock price on May 22, 2024. The stock closed at Rs. 12000, a 7.27% increase and a new 52-week and all-time high. It outperformed the sector by 5.99% and the Sensex by a significant margin, with a 'Hold' call from MarketsMojo, making it a promising investment ...
5 giorni fa · This Special Issue serves as a dedicated platform for researchers and engineers to explore and disseminate the transformative strides made in leveraging electrochemical technologies for building a more sustainable future. Submit your manuscript by December 31, 2024. Learn More.
13 ore fa · Wide open ft.Beck ( Chemical brothers ) Ensuite je crayonne : My way ( version Nina Simone ) Puis j'encre : Solar sailer ( Tron, l'héritage Soundtrack Daft Punk ) et je mets en couleurs : Night heights ( Jain ) Quand j'ai fini je descends au bistrot : For whom the bells tolls ( Metallica ) et je danse : Comme un kenyan ( les Wampas )
1 giorno fa · Further computational investigations of these compounds were conducted using the DFT/B3LYP method, for the determination of HOMO and LUMO energy values as well as the calculation of chemical softness, hardness, electronegativity and electrophilic index etc.
1 giorno fa · Beck’s headlining orchestra tour will come to a grand conclusion on July 29 with a headlining ... covers, and collaborations with Hinds, the Chemical Brothers, Phoenix, JAWNY, Joy Downer ...
5 giorni fa · The Journal of Chemical Education announces a call for papers for a forthcoming virtual special issue on the contribution of chemistry education to action for climate empowerment to foreground research and practice in chemistry education that contributes to quality climate education.
