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Physical Chemistry Chemical Physics : PCCP|March 23, 2017
Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlationYury Minenkov, Giovanni Bistoni, Christoph Riplinger, et al.Journal of Chemical Theory and Computation|June 13, 2017
Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box ApproachGiovanni Bistoni, Christoph Riplinger, Yury Minenkov, et al.Physical Chemistry Chemical Physics : PCCP|August 3, 2026
Methodological aspects of conformational search and entropy calculation in gas-phase vitamersAndrey D Moshchenkov, Alexander S Ryzhako, Timofey P Rozov, et al.Inorganic Chemistry|July 7, 2022
"In Vitro" and "In Vivo" Diagnostic Check for the Thermochemistry of Metal-Organic CompoundsArseniy A Otlyotov, Yury Minenkov, Dzmitry H Zaitsau, et al.International Journal of Molecular Sciences|April 28, 2023
Iron(II) Complexes with Porphyrin and Tetrabenzoporphyrin: CASSCF/MCQDPT2 Study of the Electronic Structures and UV-Vis Spectra by sTD-DFTAlexey V Eroshin, Andrey I Koptyaev, Arseniy A Otlyotov, et al.Journal of Computational Chemistry|January 28, 2023
Ab initio calculations of the interaction potentials and thermodynamic functions for ArN and ArNMaxim A Maltsev, Svetlana A Aksenova, Igor V Morozov, et al.The Journal of Chemical Physics|January 8, 2018
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]Yang Guo, Christoph Riplinger, Ute Becker, et al.Journal of the American Chemical Society|September 9, 2020
Mechanistic Insight into the Photoredox-Nickel-HAT Triple Catalyzed Arylation and Alkylation of α-Amino Csp3-H BondsBholanath Maity, Chen Zhu, Huifeng Yue, et al.Journal of the American Chemical Society|February 21, 2018
Ligand-Controlled Chemoselective C(acyl)-O Bond vs C(aryl)-C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)-C(sp3) Cross-CouplingsAdisak Chatupheeraphat, Hsuan-Hung Liao, Watchara Srimontree, et al.Journal of Molecular Graphics & Modelling|June 8, 2025
The simpler the better? Enthalpies of formation and entropies of short-chain chlorinated paraffins by ab initio, DFT, group additivity and semiempirical approximationsArtem V Chaikin, Timofey P Rozov, Alexander S Ryzhako, et al.Pageof 5