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The Barriers to Internal Rotation of Benzaldehyde and Benzoyl Fluoride: “Reconciliation” Between Theory and Experiment

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-11, Vol.118 (44), p.10159-10165

2014

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

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2016-05, Vol.161, p.155-161

2016

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Structure and conformational dynamics of cyclobutanecarboxaldehyde in the ground electronic state

Computational and theoretical chemistry, 2023-02, Vol.1220, p.113994, Article 113994

2023

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Specificity of internal rotation in aldehydes with three-membered rings

Mendeleev communications, 2023-05, Vol.33 (3), p.416-418

2023

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

Journal of molecular structure, 2010-08, Vol.978 (1), p.269-278

2010

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

Computational and theoretical chemistry, 2016-03, Vol.1080, p.23-32

2016

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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

International journal of quantum chemistry, 2009, Vol.109 (3), p.569-585

2009

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Molecular parameters of tetraatomic carbonyls X 2 CO and XYCO (X, Y = H, F, Cl) in the ground and lowest excited electronic states, part 1: A test of ab initio methods

International journal of quantum chemistry, 2009-01, Vol.109 (3), p.569-585

2009

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Structure and dynamics of acrolein in lowest excited 1,3(n,π) electronic states: The quantum-chemical study

International journal of quantum chemistry, 2008, Vol.108 (14), p.2719-2731

2008

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

International journal of quantum chemistry, 2004, Vol.96 (3), p.193-201

2004

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

International journal of quantum chemistry, 2004, Vol.96 (6), p.589-597

2004

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

International journal of quantum chemistry, 2004-11, Vol.100 (4), p.509-518

2004

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Structure and vibrations of the CF 3 NO molecule in the ground and lowest excited electronic states: A test of ab initio methods

International journal of quantum chemistry, 2004-01, Vol.100 (4), p.509-518

2004

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One-dimensional models of internal rotation in CX 3NO molecules (X = H, D, F)

Journal of molecular spectroscopy, 2005, Vol.230 (1), p.43-53

2005

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

International journal of quantum chemistry, 2002-06, Vol.88 (4), p.414-425

2002

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Features of the fluorine‐substituted acetaldehydes dynamics in the low‐lying electronic states: Quantum mechanical study of the CHF 2 CHO molecule lowest excited singlet state

International journal of quantum chemistry, 2002-06, Vol.88 (4), p.414-425

2002

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

Journal of molecular spectroscopy, 2005-03, Vol.230 (1), p.43-53

2005

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One- and Two-Dimensional Torsion-Inversion Models for the Fluoral Molecule (CF 3 CHO) in Excited Electronic States

Structural chemistry, 2004-02, Vol.15 (1), p.31-39

2004

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

Journal of molecular structure. Theochem, 2009-07, Vol.905 (1), p.86-93

2009

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

Journal of molecular structure. Theochem, 2010-01, Vol.939 (1), p.14-21

2010

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Theoretical study of the structure of 2-methylpropanal in the ground electronic state: Three-dimensional model for torsional vibrations

Journal of molecular structure. Theochem, 2007-11, Vol.822 (1), p.133-144

2007

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The Barriers to Internal Rotation of Benzaldehyde and Benzoyl Fluoride: “Reconciliation” Between Theory and Experiment

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

Structure and conformational dynamics of cyclobutanecarboxaldehyde in the ground electronic state

Specificity of internal rotation in aldehydes with three-membered rings

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

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

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

Molecular parameters of tetraatomic carbonyls X 2 CO and XYCO (X, Y = H, F, Cl) in the ground and lowest excited electronic states, part 1: A test of ab initio methods

Structure and dynamics of acrolein in lowest excited 1,3(n,π) electronic states: The quantum-chemical study

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

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

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

Structure and vibrations of the CF 3 NO molecule in the ground and lowest excited electronic states: A test of ab initio methods

One-dimensional models of internal rotation in CX 3NO molecules (X = H, D, F)

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

Features of the fluorine‐substituted acetaldehydes dynamics in the low‐lying electronic states: Quantum mechanical study of the CHF 2 CHO molecule lowest excited singlet state

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

One- and Two-Dimensional Torsion-Inversion Models for the Fluoral Molecule (CF 3 CHO) in Excited Electronic States

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

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

Theoretical study of the structure of 2-methylpropanal in the ground electronic state: Three-dimensional model for torsional vibrations

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