| 1 |
DFT Investigation of the eta(6) reversible arrow eta(6)-Inter-ring Haptotropic Rearrangement of the Group 8 Metals Complexes [(graphene)MCp](+) (M = Fe, Ru, Os)
Gloriozov IP, Dem'yanov PI, Zhulyaev NS, Nechaev MS, Oprunenko YF, Gam F, Saillard JY, Kuznetsov AE
Journal of Physical Chemistry A, 125(1), 366, 2021 |
| 2 |
Spectroscopic studies, molecular structure optimization and investigation of structural and electrical properties of novel and biodegradable Chitosan-GO polymer nanocomposites
Dhayal V, Hashmi SZ, Kumar U, Choudhary BL, Kuznetsov AE, Dalela S, Kumar S, Kaya S, Dolia SN, Alvi PA
Journal of Materials Science, 55(30), 14829, 2020 |
| 3 |
Stacks of Metalloporphyrins: Comparison of Experimental and Computational Results
Kuznetsov AE
Journal of Physical Chemistry B, 123(47), 10044, 2019 |
| 4 |
Does the MgO(100)-Support Facilitate the Reaction of Nitrogen and Hydrogen Molecules Catalyzed by Zr2Pd2 Clusters? A Computational Study
Kuznetsov AE, Musaev DG
Inorganic Chemistry, 49(5), 2557, 2010 |
| 5 |
Computational Studies of the Geometry and Electronic Structure of an All-Inorganic and Homogeneous Tetra-Ru-Polyoxotungstate Catalyst for Water Oxidation and Its Four Subsequent One-Electron Oxidized Forms
Quinonero D, Kaledin AL, Kuznetsov AE, Geletii YV, Besson C, Hill CL, Musaev DG
Journal of Physical Chemistry A, 114(1), 535, 2010 |
| 6 |
Insights into the Mechanism of O-2 Formation and Release from the Mn4O4L6 "Cubane" Cluster
Kuznetsov AE, Geletii YV, Hill CL, Musaev DG
Journal of Physical Chemistry A, 114(43), 11417, 2010 |
| 7 |
A Fast Soluble Carbon-Free Molecular Water Oxidation Catalyst Based on Abundant Metals
Yin QS, Tan JM, Besson C, Geletii YV, Musaev DG, Kuznetsov AE, Luo Z, Hardcastle KI, Hill CL
Science, 328(5976), 342, 2010 |
| 8 |
Mechanism of the Divanadium-Substituted Polyoxotungstate [gamma-1,2-H2SiV2W10O40](4-) Catalyzed Olefin Epoxidation by H2O2: A Computational Study
Kuznetsov AE, Geletii YV, Hill CL, Morokuma K, Musaev DG
Inorganic Chemistry, 48(5), 1871, 2009 |
| 9 |
Dioxygen and Water Activation Processes on Multi-Ru-Substituted Polyoxometalates: Comparison with the "Blue-Dimer" Water Oxidation Catalyst
Kuznetsov AE, Geletii YV, Hill CL, Morokuma K, Musaev DG
Journal of the American Chemical Society, 131(19), 6844, 2009 |
| 10 |
A single pi-bond captures 3, 4 and 5 atoms
Kuznetsov AE, Boldyrev AI
Chemical Physics Letters, 388(4-6), 452, 2004 |
