日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Cr(I)-Cr(I) Terphenyl Bridged Complexes: A Broken-Symmetry DFT and Multideterminant CASSCF/NEVPT2 Handshake

Cr(I)-Cr(I)三联苯桥联配合物:破对称DFT和多行列式CASSCF/NEVPT2握手

Hlinčík, Andrej; Malček, Michal; Lušpai, Karol; Kožíšek, Jozef; Bucinsky, Lukas

Chemical and Redox Noninnocence of Pentane-2,4-dione Bis(S-methylisothiosemicarbazone) in Cobalt Complexes and Their Application in Wacker-Type Oxidation

戊烷-2,4-二酮双(S-甲基异硫代氨基脲)在钴配合物中的化学和氧化还原非惰性及其在Wacker型氧化中的应用

Porte, Vincent; Milunovic, Miljan N M; Knof, Ulrich; Leischner, Thomas; Danzl, Tobias; Kaiser, Daniel; Gruene, Tim; Zalibera, Michal; Jelemenska, Ingrid; Bucinsky, Lukas; Jannuzzi, Sergio A V; DeBeer, Serena; Novitchi, Ghenadie; Maulide, Nuno; Arion, Vladimir B

Isomerization pathway of a C-C sigma bond in a bis(octaazamacrocycle)dinickel(II) complex activated by deprotonation: a DFT study

去质子化活化的双(八氮杂大环)二镍(II)配合物中C-C σ键的异构化路径:DFT研究

Jelemenska, Ingrid; Zalibera, Michal; Rapta, Peter; Dobrov, Anatoly A; Arion, Vladimir B; Bucinsky, Lukas

Machine learning prediction of 3CL(pro) SARS-CoV-2 docking scores

机器学习预测 3CL(pro) SARS-CoV-2 对接得分

Bucinsky, Lukas; Bortňák, Dušan; Gall, Marián; Matúška, Ján; Milata, Viktor; Pitoňák, Michal; Štekláč, Marek; Végh, Daniel; Zajaček, Dávid

cis-Tetrachlorido-bis(indazole)osmium(iv) and its osmium(iii) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339

顺式-四氯双(吲唑)锇(IV)及其锇(III)类似物:为钌抗癌药物KP1019和/或NKP1339的顺式异构体铺平道路

Gabriel E Büchel ,Susanne Kossatz ,Ahmad Sadique ,Peter Rapta ,Michal Zalibera ,Lukas Bucinsky ,Stanislav Komorovsky ,Joshua Telser ,Jörg Eppinger ,Thomas Reiner ,Vladimir B Arion