kvanttikemia
http://www.yso.fi/onto/yso/p19301
Liittyvät hankkeet
- Viritysenergian siirto kemiallisissa ja biologisissa systeemeissä
- Morozov, Dmitry
- Kemian laitos
- Suomen Akatemia
Liittyvät julkaisut ja muut tuotokset
1/3
- Extending Benson Group Increment Theory to compounds of phosphorus, silicon, and boron with computational chemistry (2022) Vuori, Hannu; G5; OA; 978-951-39-9242-2
- High-Level Ab Initio Predictions of Thermochemical Properties of Organosilicon Species : Critical Evaluation of Experimental Data and a Reliable Benchmark Database for Extending Group Additivity Approaches (2022) Vuori, Hannu T.; et al.; A1; OA
- Self-assembly of new cobalt complexes based on [Co(SCN)4], synthesis, empirical, antioxidant activity, and quantum theory investigations (2022) Ferchichi, Amal; et al.; A1; OA
- Applying joint theoretical experimental research to aptamer modeling (2021) Shchugoreva, I. A.; et al.; B1; OA
- Computational approach to design of aptamers to the receptor binding domain of SARS-CoV-2 (2021) Artyushenko, P. V.; et al.; B1; OA
- Multi-scale dynamics simulations of molecular polaritons : the effect of multiple cavity modes on polariton relaxation (2021) Tichauer, Ruth H.; et al.; A1; OA
- Grand Canonical Rate Theory for Electrochemical and Electrocatalytic Systems I : General Formulation and Proton-coupled Electron Transfer Reactions (2020) Melander, Marko M.; A1; OA
- Theoretical characterization of the photochemical reaction CO2+O(3P)→CO+O2 related to experiments in solid krypton (2020) Grigorenko, Bella L.; et al.; A1; OA
- Protonation of the Biliverdin IXα Chromophore in the Red and Far-Red Photoactive States of Bacteriophytochrome (2019) Modi, Vaibhav; et al.; A1; OA
- Theory for the stationary polariton response in the presence of vibrations (2019) Kansanen, Kalle S. U.; et al.; A1; OA
