Andrew E. Shchavlev

DFT Study of the Monomers and Dimers of 2-Pyrrolidone:  Equilibrium Structures, Vibrational, Orbital, Topological, and NBO Analysis of Hydrogen-Bonded Interactions

Andrew E. Shchavlev, Olga A. Chaplygina · The Journal of Physical Chemistry A · 2005 · 33 citations

Natural Sciences, Chemistry, Physics +17

Theoretical Studies on the Intramolecular Hydrogen Bond and Tautomerism of 8-Mercaptoquinoline in the Gaseous Phase and in Solution Using Modern DFT Methods

Andrew E. Shchavlev, Alexei V. Shalabay · The Journal of Physical Chemistry A · 2005 · 33 citations

Natural Sciences, Chemistry, Physics +17

DFT computational studies on rotation barriers, tautomerism, intramolecular hydrogen bond, and solvent effects in 8‐hydroxyquinoline

Andrew E. Shchavlev, Alexei V. Shalabay · International Journal of Quantum Chemistry · 2005 · 30 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Intramolecular Hydrogen-Bonding Interactions in 2-Nitrosophenol and Nitrosonaphthols:  Ab Initio, Density Functional, and Nuclear Magnetic Resonance Theoretical Study

Andrew E. Shchavlev, Venelin Enchev · The Journal of Physical Chemistry A · 2007 · 27 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Semiempirical quantum chemical PM3 computations and evaluations of redox potentials, basicities, and dipole moments of the diphenylamine series as analytical reagents

Andrew E. Shchavlev · Canadian Journal of Chemistry · 1999 · 24 citations

Natural Sciences, Chemistry, Analytical Chemistry +14