V. Bataev

发表

Conformational analysis of acetamide in the ground and lowest excited electronic states

N. V. Tukachev, V. Bataev, I. Godunov, 2017 .

Molecular parameters of tetraatomic carbonyls X2CO and XYCO (X, Y = H, F, Cl) in the ground and lowest excited electronic states, part 1: A test of ab initio methods

S. I. Bokarev, V. Bataev, I. Godunov, 2009 .

Structures and conformational dynamics of trans- and cis-crotonaldehydes in excited electronic states: A quantum-chemical study

O. Bokareva, V. Bataev, I. Godunov, 2019, Computational and Theoretical Chemistry.

The structure of 2-methylpropanal molecule in the S1 lowest excited singlet electronic state: theoretical and experimental studies

D. V. Maslov, N. Yakovlev, V. Bataev, 2018, Structural Chemistry.

Structure and conformational dynamics of the dicyclopropyl ketone in the ground electronic state

V. Bataev, I. Godunov, V. I. Pupyshev, 2010 .

Structure and conformational dynamics of oxiranecarboxaldehyde in the ground and excited electronic states

V. Bataev, I. Godunov, E. V. Rastoltseva, 2010 .

Structure and conformational dynamics of the cyclopropanecarbaldehyde molecule in the ground (Sb0) and lowest excited (Tb1 and Sb1) electronic states

V. Bataev, I. Godunov, E. V. Rastoltseva, 2009 .

Structure and conformational dynamics of the cyclopropyl methyl ketone molecule in the ground electronic state

V. Bataev, I. Godunov, E. V. Rastoltseva, 2009 .

Structure and dynamics of acrolein in (1,3)(pi,pi*) excited electronic states: a quantum-chemical study.

O. Bokareva, V. Bataev, I. Godunov, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A quantum-chemical study of the structure and conformational dynamics of the acrolein molecule in the ground electronic state

O. Bokareva, V. Bataev, I. Godunov, 2009 .

Structure and Dynamics of Acrolein in Lowest Excited 1,3(n,π*) Electronic States: The Quantum-Chemical Study

O. Bokareva, V. Bataev, I. Godunov, 2008 .

Structure and vibrations of the CF3NO molecule in the ground and lowest excited electronic states: a test of ab initio methods

V. Bataev, I. Godunov, E. K. Dolgov, 2004 .

Structure of the nitrosomethane molecule (CH3NO) in the ground electronic state: Testing of ab initio methods for the description of potential energy surface

V. Bataev, I. Godunov, E. K. Dolgov, 2004 .

Structure and Conformational Dynamics of a 2,2-Dimethylpropanal Molecule in the Lowest Excited Singlet (S1) and Triplet (Т1) Electronic States

N. Yakovlev, V. Bataev, I. Godunov, 2019, Russian Journal of Physical Chemistry A.

Nonempirical Quantum-Chemical Calculations of the Structure and Conformations of the 2,2-Dichloroethanal Molecule in the Lowest Excited Singlet State

V. Bataev, I. Godunov, A. V. Abramenkov, 2002 .

Molecular Structure of Chloral (CCl3CHO) in the Lowest Excited Singlet State

M. N. Mikhailov, V. Bataev, I. Godunov, 2001 .

Potential functions of inversion of R2CO (R=H, F, Cl) molecules in the lowest excited electronic states

V. Bataev, I. Godunov, V. I. Pupyshev, 1999 .

Ab initio description of the structure and dynamics of the nitrosomethane molecule in the first excited singlet and triplet electronic states

V. Bataev, I. Godunov, E. K. Dolgov, 2004 .

Structure and conformational dynamics of formamide molecule in the ground and lowest excited electronic states

N. V. Tukachev, V. Bataev, I. Godunov, 2016 .

Conformational analysis of N-methylacetamide molecule in the ground and excited electronic states

N. V. Tukachev, V. Bataev, I. Godunov, 2017 .

Conformational analysis of N-methylformamide in ground S0 and excited S1 and T1 electronic states

N. V. Tukachev, V. Bataev, I. Godunov, 2016 .

On large amplitude motions of simplest amides in the ground and excited electronic states

N. V. Tukachev, V. Bataev, I. Godunov, 2017 .

The barriers to internal rotation of benzaldehyde and benzoyl fluoride: "reconciliation" between theory and experiment.

V. Bataev, I. Godunov, V. I. Pupyshev, 2014, The journal of physical chemistry. A.

One-dimensional models of internal rotation in CX3NO molecules (X = H, D, F)

V. Bataev, I. Godunov, E. K. Dolgov, 2005 .

The structure of CX2YNO (X, Y=F, Cl) molecules in the ground and lowest excited singlet electronic states

V. Bataev, I. Godunov, E. K. Dolgov, 1999 .

Structure and dynamics of conformationally non-rigid molecules in excited electronic states: Ab initio calculations of the R2CO (R=H, F, Cl)

V. Bataev, I. Godunov, V. I. Pupyshev, 1999 .

Effect of Hydrogen Charging on Mechanical Twinning, Strain Hardening, and Fracture of ‹111› and ‹144› Hadfield Steel Single Crystals

A. Smirnov, G. Maier, E. Astafurova, 2018, Physical Mesomechanics.

Specificity of internal rotation in aldehydes with three-membered rings

V. Bataev, Sergey S. Styopin, 2023, Mendeleev Communications.

Quantum-chemical study of the structure of the acetyl fluoride molecule in the ground and lowest excited singlet and triplet electronic states.

V. Bataev, I. Godunov, A. V. Abramenkov, 2004, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

One- and Two-Dimensional Torsion-Inversion Models for the Fluoral Molecule (CF3CHO) in Excited Electronic States

V. Bataev, Alexandr V. Abramenkov, Igor A. Godunov, 2004 .

Theoretical study of the structure of propanal in the first excited singlet and triplet electronic states: Three-dimensional model for torsional and inversion vibrations

V. Bataev, I. Godunov, V. I. Pupyshev, 2003 .

Features of the fluorine‐substituted acetaldehydes dynamics in the low‐lying electronic states: Quantum mechanical study of the CHF2CHO molecule lowest excited singlet state

V. Bataev, I. Godunov, E. K. Dolgov, 2002 .

Structures and conformational dynamics of monomethylated derivatives of acrolein: A quantum-chemical study

O. S. Bokareva, Vadim A. Bataev, Igor A. Godunov, 2009 .

Structure and Conformational Dynamics of Cyclobutanecarboxaldehyde in the Ground Electronic State

V. Bataev, S. Styopin, 2022, SSRN Electronic Journal.

Ab initio study of torsional vibrations of the fluoral molecule in the ground state

V. Bataev, I. Godunov, V. I. Pupyshev, 1998 .

S 1 ←S 0 vibronic spectra and structure of cyclopropanecarboxaldehyde molecule in the S 1 lowest excited singlet electronic state

D. V. Maslov, N. Yakovlev, V. Bataev, 2016 .

Structure and conformational dynamics of molecules in the excited electronic states: theory and experiment

D. V. Maslov, N. Yakovlev, V. Bataev, 2017 .

The S1 ← S0 vibronic spectra and structure of the (CH3)2 CHCHO and (CH3)2 CHCDO 2-methylpropanal molecules

N. Yakovlev, V. Bataev, I. Godunov, 2007 .

Analysis of the vibrational structure of the 3418 å in the absorption electronic spectrum of propanal-h1 and -d1 vapors

N. Yakovlev, V. Bataev, I. Godunov, 2005 .

Quantum-Mechanical Calculations of the Structure and Dynamics of Conformationally Nonrigid Carbonyl Compound Molecules in the Ground and Excited States

V. Bataev, I. Godunov, V. I. Pupyshev, 2000 .

Structure of acetyl chloride molecule isotopomers CH3COCl and CD3COCl in the ground and lowest excited singlet and triplet electronic states: a quantum mechanical study

V. Bataev, I. Godunov, A. V. Kudich, 2005 .

A quantum-mechanical analysis of trans-acrolein vibrational spectra in the ground S0 and excited T1 and S1 electronic states

Y. Panchenko, V. Bataev, A. V. Abramenkov, 2017 .

Complex character of internal rotation of furfural in the ground S0 and excited S1 electronic states

V. Bataev, I. Godunov, A. Abramenkov, 2020 .

Two-dimensional character of internal rotation of furfural and other five-member heterocyclic aromatic aldehydes.

V. Bataev, I. Godunov, V. I. Pupyshev, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.