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Journal of Computational Chemistry|November 18, 2022
Influence of the complete basis set approximation, tight weighted-core, and diffuse functions on the DLPNO-CCSD(T1) atomization energies of neutral H,C,O-compoundsYury Minenkov, Luigi Cavallo, Kirk A Peterson
The Journal of Physical Chemistry. A|September 10, 2009
Metal-phosphine bond strengths of the transition metals: a challenge for DFTYury Minenkov, Giovanni Occhipinti, Vidar R Jensen
Inorganic Chemistry|November 7, 2022
Cluster-Continuum Model as a Sanity Check of Sodium Ions' Gibbs Free Energies of TransferArseniy A Otlyotov, Luigi Cavallo, Yury Minenkov
Inorganic Chemistry|May 23, 2024
Ni, Cu, Zn, Pd, Ag and Cd Tetraphenylporphyrin Ab Initio Thermochemistry: Enthalpy of Formation of ZnTPP RevisitedArseniy A Otlyotov, Andrey D Moshchenkov, Yury Minenkov
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 17, 2018
A Robust and Cost-Efficient Scheme for Accurate Conformational Energies of Organic MoleculesDmitry I Sharapa, Alexander Genaev, Luigi Cavallo, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2011
Neutral nickel oligo- and polymerization catalysts: the importance of alkyl phosphine intermediates in chain terminationWouter Heyndrickx, Giovanni Occhipinti, Yury Minenkov, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2021
Ambiguities in solvation free energies from cluster-continuum quasichemical theory: lithium cation in protic and aprotic solventsDaniil Itkis, Luigi Cavallo, Lada V Yashina, et al.
Physical Chemistry Chemical Physics : PCCP|January 18, 2022
Gas-phase thermochemistry of polycyclic aromatic hydrocarbons: an approach integrating the quantum chemistry composite scheme and reaction generatorIrina Minenkova, Arseniy A Otlyotov, Luigi Cavallo, et al.
Inorganic Chemistry|June 13, 2019
Gas Phase Silver Thermochemistry from First PrinciplesIrina Minenkova, Valery V Sliznev, Luigi Cavallo, et al.
Inorganic Chemistry|November 19, 2020
Gas-Phase Thermochemistry of MX3 and M2X6 (M = Sc, Y; X = F, Cl, Br, I) from a Composite Reaction-Based Approach: Homolytic versus Heterolytic CleavageIrina Minenkova, Evgeniya L Osina, Luigi Cavallo, et al.
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