Density functional theory is straying from the path toward the exact functional MG Medvedev, IS Bushmarinov, J Sun, JP Perdew, KA Lyssenko Science 355 (6320), 49-52, 2017 | 997* | 2017 |
Stereoelectronic power of oxygen in control of chemical reactivity: the anomeric effect is not alone IV Alabugin, L Kuhn, MG Medvedev, NV Krivoshchapov, VA Vil, ... Chemical Society Reviews 50 (18), 10253-10345, 2021 | 95* | 2021 |
Anomeric effect, hyperconjugation and electrostatics: Lessons from complexity in a classic stereoelectronic phenomenon IV Alabugin, L Kuhn, NV Krivoshchapov, P Mehaffy, MG Medvedev Chemical Society Reviews 50 (18), 10212-10252, 2021 | 80 | 2021 |
Asymmetric nucleophilic catalysis with an octahedral chiral-at-metal iridium (III) complex T Cruchter, MG Medvedev, X Shen, T Mietke, K Harms, M Marsch, ... ACS Catalysis 7 (8), 5151-5162, 2017 | 47 | 2017 |
Quantifying possible routes for SpnF-catalyzed formal Diels–Alder cycloaddition MG Medvedev, AA Zeifman, FN Novikov, IS Bushmarinov, OV Stroganov, ... Journal of the American Chemical Society 139 (11), 3942-3945, 2017 | 44 | 2017 |
Solvent-free cascade assembling of salicylic aldehydes and malononitrile: rapid and efficient approach to 2-amino-4H-chromene scaffold MN Elinson, MG Medvedev, AI Ilovaisky, VM Merkulova, TA Zaimovskaya, ... Mendeleev Communications 2 (23), 94-95, 2013 | 43 | 2013 |
An Icosidodecahedral Supramolecule Based on Pentaphosphaferrocene: From a Disordered Average Structure to Individual Isomers C Heindl, E Peresypkina, AV Virovets, IS Bushmarinov, MG Medvedev, ... Angewandte Chemie International Edition 56 (43), 13237-13243, 2017 | 40 | 2017 |
Interplay between test sets and statistical procedures in ranking DFT methods: The case of electron density studies AA Marjewski, MG Medvedev, IS Gerasimov, MV Panova, JP Perdew, ... Mendeleev Communications 28 (3), 225-235, 2018 | 33 | 2018 |
Novel push-pull fluorescent dyes–7-(diethylamino) furo-and thieno [3, 2-c] coumarins derivatives: structure, electronic spectra and TD-DFT study IO Akchurin, AI Yakhutina, AY Bochkov, NP Solovjova, MG Medvedev, ... Journal of Molecular Structure 1160, 215-221, 2018 | 31 | 2018 |
Marriage of peroxides and nitrogen heterocycles: selective three-component assembly, peroxide-preserving rearrangement, and stereoelectronic source of unusual stability of … IA Yaremenko, YY Belyakova, PS Radulov, RA Novikov, MG Medvedev, ... Journal of the American Chemical Society 143 (17), 6634-6648, 2021 | 28 | 2021 |
Metalated azolo [1, 2, 4] triazines. II. Generation, C (4)-substituent dependent stability and electrophile trapping of 7-lithiopyrazolo [5, 1-c][1, 2, 4] triazines SM Ivanov, AO Dmitrienko, MG Medvedev, LM Mironovich Journal of Organometallic Chemistry 896, 168-182, 2019 | 28 | 2019 |
How to build rigid oxygen-rich tricyclic heterocycles from triketones and hydrogen peroxide: control of dynamic covalent chemistry with inverse α-effect IA Yaremenko, PS Radulov, MG Medvedev, NV Krivoshchapov, ... Journal of the American Chemical Society 142 (34), 14588-14607, 2020 | 25 | 2020 |
Mechanistic study in azide-alkyne cycloaddition (CuAAC) catalyzed by bifunctional trinuclear copper (I) pyrazolate complex: Shift in rate-determining step VA Larionov, AR Stashneva, AA Titov, AA Lisov, MG Medvedev, ... Journal of Catalysis 390, 37-45, 2020 | 24 | 2020 |
Exhaustive conformational search for transition states: the case of catechol O-methyltransferase active site MG Medvedev, MV Panova, GG Chilov, IS Bushmarinov, FN Novikov, ... Mendeleev Communications 27 (3), 224-227, 2017 | 24 | 2017 |
An octahedral cobalt (iii) complex based on cheap 1, 2-phenylenediamine as a bifunctional metal-templated hydrogen bond donor catalyst for fixation of CO 2 with epoxides under … MA Emelyanov, NV Stoletova, AA Lisov, MG Medvedev, AF Smol'yakov, ... Inorganic Chemistry Frontiers 8 (16), 3871-3884, 2021 | 23 | 2021 |
Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains NY Kuznetsov, RM Tikhov, IA Godovikov, MG Medvedev, KA Lyssenko, ... Organic & Biomolecular Chemistry 15 (15), 3152-3157, 2017 | 23 | 2017 |
Inverse α-Effect as the Ariadne’s Thread on the Way to Tricyclic Aminoperoxides: Avoiding Thermodynamic Traps in the Labyrinth of Possibilities IA Yaremenko, YY Belyakova, PS Radulov, RA Novikov, MG Medvedev, ... Journal of the American Chemical Society 144 (16), 7264-7282, 2022 | 21 | 2022 |
Diphenylacetylene hydrogenation on a PdAg /Al2O3 single-atom catalyst: an experimental and DFT study AV Rassolov, DS Krivoruchenko, MG Medvedev, IS Mashkovsky, ... Mendeleev Communications 27 (6), 615-617, 2017 | 20 | 2017 |
Z-effect reversal in carboxylic acid associates MG Medvedev, IS Bushmarinov, KA Lyssenko Chemical communications 52 (39), 6593-6596, 2016 | 18 | 2016 |
Green Approach to the Design of Functionalized Medicinally Privileged 4‐Aryl‐1,4‐dihydropyrano[2,3‐c]‐pyrazole‐5‐carbonitrile Scaffold AI Ilovaisky, MG Medvedev, VM Merkulova, MN Elinson, GI Nikishin Journal of Heterocyclic Chemistry 51 (2), 523-526, 2014 | 18 | 2014 |