| Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method … Y Guo, C Riplinger, U Becker, DG Liakos, Y Minenkov, L Cavallo, ... The Journal of chemical physics 148 (1), 2018 | 632 | 2018 |
| A Highly Selective Copper–Indium Bimetallic Electrocatalyst for the Electrochemical Reduction of Aqueous CO2 to CO S Rasul, DH Anjum, A Jedidi, Y Minenkov, L Cavallo, K Takanabe Angewandte Chemie International Edition 54 (7), 2146-2150, 2015 | 592 | 2015 |
| The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous … Y Minenkov, Å Singstad, G Occhipinti, VR Jensen Dalton Transactions 41 (18), 5526-5541, 2012 | 554 | 2012 |
| Ligand-Controlled Chemoselective C(acyl)–O Bond vs C(aryl)–C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)–C(sp3) Cross-Couplings A Chatupheeraphat, HH Liao, W Srimontree, L Guo, Y Minenkov, A Poater, ... Journal of the American Chemical Society 140 (10), 3724-3735, 2018 | 179 | 2018 |
| Metal− phosphine bond strengths of the transition metals: a challenge for DFT Y Minenkov, G Occhipinti, VR Jensen The Journal of Physical Chemistry A 113 (43), 11833-11844, 2009 | 146 | 2009 |
| Cooperative effect of monopodal silica-supported niobium complex pairs enhancing catalytic cyclic carbonate production V D’Elia, H Dong, AJ Rossini, CM Widdifield, SVC Vummaleti, Y Minenkov, ... Journal of the American Chemical Society 137 (24), 7728-7739, 2015 | 143 | 2015 |
| Accuracy of DLPNO–CCSD (T) method for noncovalent bond dissociation enthalpies from coinage metal cation complexes Y Minenkov, E Chermak, L Cavallo Journal of chemical theory and computation 11 (10), 4664-4676, 2015 | 106 | 2015 |
| N-heterocyclic carbene copper (I) catalysed N-methylation of amines using CO 2 O Santoro, F Lazreg, Y Minenkov, L Cavallo, CSJ Cazin Dalton Transactions 44 (41), 18138-18144, 2015 | 97 | 2015 |
| Mechanistic Insight into the Photoredox-Nickel-HAT Triple Catalyzed Arylation and Alkylation of α-Amino Csp3–H Bonds B Maity, C Zhu, H Yue, L Huang, M Harb, Y Minenkov, M Rueping, ... Journal of the American Chemical Society 142 (40), 16942-16952, 2020 | 83 | 2020 |
| Complete reaction pathway of ruthenium-catalyzed olefin metathesis of ethyl vinyl ether: Kinetics and mechanistic insight from DFT Y Minenkov, G Occhipinti, VR Jensen Organometallics 32 (7), 2099-2111, 2013 | 77 | 2013 |
| Treating subvalence correlation effects in domain based pair natural orbital coupled cluster calculations: an out-of-the-box approach G Bistoni, C Riplinger, Y Minenkov, L Cavallo, AA Auer, F Neese Journal of Chemical Theory and Computation 13 (7), 3220-3227, 2017 | 63 | 2017 |
| Application of semiempirical methods to transition metal complexes: Fast results but hard-to-predict accuracy Y Minenkov, DI Sharapa, L Cavallo Journal of Chemical Theory and Computation 14 (7), 3428-3439, 2018 | 61 | 2018 |
| Heats of formation of medium-sized organic compounds from contemporary electronic structure methods Y Minenkov, H Wang, Z Wang, SM Sarathy, L Cavallo Journal of Chemical Theory and Computation 13 (8), 3537-3560, 2017 | 58 | 2017 |
| Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation Y Minenkov, G Bistoni, C Riplinger, AA Auer, F Neese, L Cavallo Physical Chemistry Chemical Physics 19 (14), 9374-9391, 2017 | 57 | 2017 |
| Controlling the hydrogenolysis of silica-supported tungsten pentamethyl leads to a class of highly electron deficient partially alkylated metal hydrides N Maity, S Barman, E Callens, MK Samantaray, E Abou-Hamad, ... Chemical science 7 (2), 1558-1568, 2016 | 57 | 2016 |
| Troubles in the systematic prediction of transition metal thermochemistry with contemporary out-of-the-box methods Y Minenkov, E Chermak, L Cavallo Journal of Chemical Theory and Computation 12 (4), 1542-1560, 2016 | 47 | 2016 |
| A silica-supported monoalkylated tungsten dioxo complex catalyst for olefin metathesis N Maity, S Barman, Y Minenkov, S Ould-Chikh, E Abou-Hamad, T Ma, ... ACS Catalysis 8 (4), 2715-2729, 2018 | 45 | 2018 |
| A robust and cost‐efficient scheme for accurate conformational energies of organic molecules DI Sharapa, A Genaev, L Cavallo, Y Minenkov ChemPhysChem 20 (1), 92-102, 2019 | 44 | 2019 |
| Molecular structure and bonding in octamethylporphyrin tin (ii), SnN 4 C 28 H 28 GV Girichev, NI Giricheva, OI Koifman, YV Minenkov, AE Pogonin, ... Dalton Transactions 41 (25), 7550-7558, 2012 | 40 | 2012 |
| Accurate experimental and theoretical enthalpies of association of TiCl 4 with typical Lewis bases used in heterogeneous Ziegler–Natta catalysis R Credendino, Y Minenkov, D Liguori, F Piemontesi, A Melchior, G Morini, ... Physical Chemistry Chemical Physics 19 (39), 26996-27006, 2017 | 37 | 2017 |
Frank NeeseMax Planck Institute für KohlenforschungПотвърден имейл адрес: kofo.mpg.de
