Ilya I. Marochkin

Amide bond dissociation enthalpies: Effect of substitution on NC bond strength

Ilya I. Marochkin, Olga V. Dorofeeva · Computational and Theoretical Chemistry · 2012 · 34 citations

Natural Sciences, Chemistry, Physics +14

Assessment of Gaussian-4 theory for the computation of enthalpies of formation of large organic molecules

Olga V. Dorofeeva, I. N. Kolesnikova, Ilya I. Marochkin et al. · Structural Chemistry · 2011 · 31 citations

Natural Sciences, Chemistry, Physics +14

Comparable study of the structure of 1,2-bis(2-acetamidoethyl) diaziridine and 3,3-diethyldiaziridine with structures of related compounds by X-ray diffraction analysis and quantum chemical calculations

Vladimir V. Kuznetsov, Ilya I. Marochkin, Alexander S. Goloveshkin et al. · Structural Chemistry · 2017 · 22 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Experiment and theory at the convergence limit: accurate equilibrium structure of picolinic acid by gas-phase electron diffraction and coupled-cluster computations

N. Vogt, Ilya I. Marochkin, Anatolii N. Rykov · Physical Chemistry Chemical Physics · 2018 · 19 citations

Natural Sciences, Chemistry, Physics +17

From the Determination of the Accurate Equilibrium Structure of 1-Methylthymine by Gas Electron Diffraction and Coupled Cluster Computations to the Observation of Methylation and Flexibility Effects in Pyrimidine Nucleobases

N. Vogt, Ilya I. Marochkin, Anatolii N. Rykov · The Journal of Physical Chemistry A · 2014 · 17 citations

Natural Sciences, Chemistry, Computational Chemistry +16