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Search for publications relevant for "reaction coordinate"
reaction coordinate
Publication
Class
Person
Publication
Programmes
publication
Exploration of various electronic properties along the reaction coordinate for hydration of Pt(II) and Ru(II) complexes; the CCSD, MPx, and DFT computational study
2013 |
Faculty of Mathematics and Physics
publication
The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study
2017 |
Faculty of Mathematics and Physics
publication
Interactions of the "piano-stool" [ruthenium(II)((6)-arene)(quinolone)Cl](+) complexes with water; DFT computational study
2016 |
Faculty of Mathematics and Physics
publication
Reactions of cisplatin and glycine in solution with constant pH: a computational study
2012 |
Faculty of Mathematics and Physics
publication
Charge-induced chemical dynamics in glycine probed with time-resolved Auger electron spectroscopy
2022 |
Faculty of Mathematics and Physics
publication
Formation of chelate structure between His-Met dipeptide and diaqua-cisplatin complex; DFT/PCM computational study
2018 |
Faculty of Mathematics and Physics
publication
QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH
2020 |
Faculty of Mathematics and Physics
publication
Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study
2018 |
Faculty of Mathematics and Physics
publication
Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II
2022 |
Faculty of Science, Central Library of Charles University