quantum chemistry

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1
Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil.
Tan, Xue Jie;Wang, Di;Hei, Xiao Ming;Yang, Feng Cun;Zhu, Ya Ling;Xing, Dian Xiang;Ma, Jian Ping;
2020 acta crystallographica section c, structural chemi... DOI: 10.1107/S20532296190... 302 views
2
Effect of the chemical structure of an equatorial ligand on the spin crossover properties of the Fe(III) complex with 4-styrylpyridine axial ligands.
Turanova, O A;Volkov, M Yu;Frolova, E N;Bazan, L;Garifzianova, G G;Gafiyatullin, L G;Ovchinnikov, I...
2020 The Journal of Chemical Physics DOI: 10.1063/1.5124369 217 views
3
Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO) (Dmp)(His124)(Trp122)] in azurin: a nonadiabatic dynamics study.
Mai, Sebastian;Menger, Maximilian F S J;Marazzi, Marco;Stolba, Dario L;Monari, Antonio;González, Let...
2020 theoretical chemistry accounts DOI: 10.1007/s00214-020-2... 150 views

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The Journal of Chemical Physics
ISSN: 1089-7690 867 views
acta crystallographica section c, structural chemistry
ISSN: 2053-2296 570 views
theoretical chemistry accounts
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Schiff base crystal structure antiproliferative activity indole benzil reverse docking nonadiabatic dynamics intersystem crossing protein electron transfer