Medvedev MG - Search Results

1

Quantifying Possible Routes for SpnF-Catalyzed Formal Diels-Alder Cycloaddition.

Medvedev MG, Zeifman AA, Novikov FN, Bushmarinov IS, Stroganov OV, Titov IY, Chilov GG, Svitanko IV. Medvedev MG, et al. J Am Chem Soc. 2017 Mar 22;139(11):3942-3945. doi: 10.1021/jacs.6b13243. Epub 2017 Mar 7. J Am Chem Soc. 2017. PMID: 28240878

2

Z-effect reversal in carboxylic acid associates.

Medvedev MG, Bushmarinov IS, Lyssenko KA. Medvedev MG, et al. Chem Commun (Camb). 2016 May 5;52(39):6593-6. doi: 10.1039/c6cc01305h. Chem Commun (Camb). 2016. PMID: 27109148

3

Density functional theory is straying from the path toward the exact functional.

Medvedev MG, Bushmarinov IS, Sun J, Perdew JP, Lyssenko KA. Medvedev MG, et al. Science. 2017 Jan 6;355(6320):49-52. doi: 10.1126/science.aah5975. Science. 2017. PMID: 28059761

4

Response to Comment on "Density functional theory is straying from the path toward the exact functional".

Medvedev MG, Bushmarinov IS, Sun J, Perdew JP, Lyssenko KA. Medvedev MG, et al. Science. 2017 May 5;356(6337):496. doi: 10.1126/science.aam9550. Science. 2017. PMID: 28473558

5

An Icosidodecahedral Supramolecule Based on Pentaphosphaferrocene: From a Disordered Average Structure to Individual Isomers.

Heindl C, Peresypkina E, Virovets AV, Bushmarinov IS, Medvedev MG, Krämer B, Dittrich B, Scheer M. Heindl C, et al. Among authors: medvedev mg. Angew Chem Int Ed Engl. 2017 Oct 16;56(43):13237-13243. doi: 10.1002/anie.201706756. Epub 2017 Sep 18. Angew Chem Int Ed Engl. 2017. PMID: 28793182 Free PMC article.

6

The role of human in the loop: lessons from D3R challenge 4.

Stroganov OV, Novikov FN, Medvedev MG, Dmitrienko AO, Gerasimov I, Svitanko IV, Chilov GG. Stroganov OV, et al. Among authors: medvedev mg. J Comput Aided Mol Des. 2020 Feb;34(2):121-130. doi: 10.1007/s10822-020-00291-4. Epub 2020 Jan 21. J Comput Aided Mol Des. 2020. PMID: 31965405

7

How to Build Rigid Oxygen-Rich Tricyclic Heterocycles from Triketones and Hydrogen Peroxide: Control of Dynamic Covalent Chemistry with Inverse α-Effect.

Yaremenko IA, Radulov PS, Medvedev MG, Krivoshchapov NV, Belyakova YY, Korlyukov AA, Ilovaisky AI, Terent Ev AO, Alabugin IV. Yaremenko IA, et al. Among authors: medvedev mg. J Am Chem Soc. 2020 Aug 26;142(34):14588-14607. doi: 10.1021/jacs.0c06294. Epub 2020 Aug 12. J Am Chem Soc. 2020. PMID: 32787239

8

Marriage of Peroxides and Nitrogen Heterocycles: Selective Three-Component Assembly, Peroxide-Preserving Rearrangement, and Stereoelectronic Source of Unusual Stability of Bridged Azaozonides.

Yaremenko IA, Belyakova YY, Radulov PS, Novikov RA, Medvedev MG, Krivoshchapov NV, Korlyukov AA, Alabugin IV, Terent'ev AO. Yaremenko IA, et al. Among authors: medvedev mg. J Am Chem Soc. 2021 May 5;143(17):6634-6648. doi: 10.1021/jacs.1c02249. Epub 2021 Apr 20. J Am Chem Soc. 2021. PMID: 33877842

9

Inverse α-Effect as the Ariadne's Thread on the Way to Tricyclic Aminoperoxides: Avoiding Thermodynamic Traps in the Labyrinth of Possibilities.

Yaremenko IA, Belyakova YY, Radulov PS, Novikov RA, Medvedev MG, Krivoshchapov NV, Korlyukov AA, Alabugin IV, Terent Ev AO. Yaremenko IA, et al. Among authors: medvedev mg. J Am Chem Soc. 2022 Apr 27;144(16):7264-7282. doi: 10.1021/jacs.2c00406. Epub 2022 Apr 14. J Am Chem Soc. 2022. PMID: 35418230

10

Comment on "Pushing the frontiers of density functionals by solving the fractional electron problem".

Gerasimov IS, Losev TV, Epifanov EY, Rudenko I, Bushmarinov IS, Ryabov AA, Zhilyaev PA, Medvedev MG. Gerasimov IS, et al. Among authors: medvedev mg. Science. 2022 Aug 5;377(6606):eabq3385. doi: 10.1126/science.abq3385. Epub 2022 Aug 5. Science. 2022. PMID: 35926034

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