A. E. Shchavlev

Quantitative prediction of absorption maxima in the electronic spectra of unsaturated compounds: Extrapolation from fragments to molecules in quantum chemical calculations

S. L. Shmakov, A. Pankratov, A. E. Shchavlev, 1996 .

DFT study of the monomers and dimers of 2-pyrrolidone: equilibrium structures, vibrational, orbital, topological, and NBO analysis of hydrogen-bonded interactions.

V. B. Borodulin, A. Pankratov, A. E. Shchavlev, 2005, The journal of physical chemistry. A.

Semiempirical quantum chemical methods: testing of physicochemical properties of acyclic and aromatic compounds

A. Pankratov, A. E. Shchavlev, 1997 .

Intramolecular hydrogen-bonding interactions in 2-nitrosophenol and nitrosonaphthols: ab initio, density functional, and nuclear magnetic resonance theoretical study.

Andrew E Shchavlev, Alexei N Pankratov, Venelin Enchev, 2007, The journal of physical chemistry. A.

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

A. Pankratov, A. E. Shchavlev, 1999 .

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

Alexei N. Pankratov, A. Pankratov, Andrew E. Shchavlev, 2006 .

Group Electronegativities, Inductive and Mesomeric Parameters from Semiempirical Quantum Chemical Computations

A. Pankratov, A. E. Shchavlev, 1998 .

Protolytic, Redox, and Polar Properties of Diphenylamine and Related Reagents: Quantum-Chemical Evaluation

A. Pankratov, A. E. Shchavlev, 2001 .