|
[1]
|
Modelling of the torsional IR spectra of the HSSSH, DSSSH, and DSSSD molecules
Computational and Theoretical Chemistry,
2023
DOI:10.1016/j.comptc.2023.114080
|
|
|
|
|
[2]
|
Torsional IR spectra of three conformers of the resorcinol molecule
Molecular Physics,
2023
DOI:10.1080/00268976.2023.2276909
|
|
|
|
|
[3]
|
Modelling of the torsional IR spectra of the HSSSH, DSSSH, and DSSSD molecules
Computational and Theoretical Chemistry,
2023
DOI:10.1016/j.comptc.2023.114080
|
|
|
|
|
[4]
|
Torsional motions of the free and H-bonded hydroxyl groups of the catechol molecule
Journal of Molecular Spectroscopy,
2022
DOI:10.1016/j.jms.2022.111664
|
|
|
|
|
[5]
|
Torsional motions of the free and H-bonded hydroxyl groups of the catechol molecule
Journal of Molecular Spectroscopy,
2022
DOI:10.1016/j.jms.2022.111664
|
|
|
|
|
[6]
|
Explicitly correlated study of the torsional vibrations of HSOSH molecule. Comparison with MP2/CBS(T,Q) level of theory
Molecular Crystals and Liquid Crystals,
2022
DOI:10.1080/15421406.2022.2067670
|
|
|
|
|
[7]
|
Torsional motions of the free and H-bonded hydroxyl groups of the catechol molecule
Journal of Molecular Spectroscopy,
2022
DOI:10.1016/j.jms.2022.111664
|
|
|
|
|
[8]
|
Explicitly correlated study of the torsional vibrations of HSOSH molecule. Comparison with MP2/CBS(T,Q) level of theory
Molecular Crystals and Liquid Crystals,
2022
DOI:10.1080/15421406.2022.2067670
|
|
|
|
|
[9]
|
Explicitly correlated study of the torsional vibrations of HSOSH molecule. Comparison with MP2/CBS(T,Q) level of theory
Molecular Crystals and Liquid Crystals,
2022
DOI:10.1080/15421406.2022.2067670
|
|
|
|
|
[10]
|
Torsional motions of the free and H-bonded hydroxyl groups of the catechol molecule
Journal of Molecular Spectroscopy,
2022
DOI:10.1016/j.jms.2022.111664
|
|
|
|
|
[11]
|
The torsional states of methyl hydroperoxide molecule calculated using anharmonic zero point vibrational energy
Journal of the Belarusian State University. Physics,
2021
DOI:10.33581/2520-2243-2021-2-15-24
|
|
|
|
|
[12]
|
Torsional vibrations of two thiol groups in the HSOSH, DSOSH, and DSOSD molecules: 2D PES study in CBS limit
Vibrational Spectroscopy,
2021
DOI:10.1016/j.vibspec.2021.103208
|
|
|
|
|
[13]
|
Torsional vibrations of two thiol groups in the HSOSH, DSOSH, and DSOSD molecules: 2D PES study in CBS limit
Vibrational Spectroscopy,
2021
DOI:10.1016/j.vibspec.2021.103208
|
|
|
|
|
[14]
|
Torsional States and Tunneling Probability in HOSOH, DOSOD, and DOSOH Molecules Analyzed at the CBS Limit
The Journal of Physical Chemistry A,
2020
DOI:10.1021/acs.jpca.0c06411
|
|
|
|
|
[15]
|
Torsional States and Tunneling Probability in HOSOH, DOSOD, and DOSOH Molecules Analyzed at the CBS Limit
The Journal of Physical Chemistry A,
2020
DOI:10.1021/acs.jpca.0c06411
|
|
|
|
|
[16]
|
The torsional spectrum of the hydrogen trioxide molecule
Chemical Physics,
2020
DOI:10.1016/j.chemphys.2019.110633
|
|
|
|
|
[17]
|
Barriers to internal rotation and tunnelling splittings of the torsional states in the HO(CH2)OH, DO(CH2)OH and DO(CH2)OD molecules
Molecular Physics,
2020
DOI:10.1080/00268976.2020.1746425
|
|
|
|
|
[18]
|
Quantum aspects of torsional vibrations in the HO3H, DO3H and DO3D molecules
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2020
DOI:10.1016/j.saa.2020.118209
|
|
|
|
|
[19]
|
Raman spectroscopic and theoretical study of liquid and solid water within the spectral region 1600–2300 cm−1
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2018
DOI:10.1016/j.saa.2018.01.071
|
|
|
|
|
[20]
|
Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule
Computational and Theoretical Chemistry,
2016
DOI:10.1016/j.comptc.2016.04.029
|
|
|
|
|
[21]
|
Comparison of the Fourier and Discrete-Variable-Representation Methods in the Numerical Solution of Multidimensional Schrödinger Equations
Journal of Applied Spectroscopy,
2016
DOI:10.1007/s10812-016-0200-x
|
|
|
|
|
[22]
|
Theoretical study of the C–H/O–H stretching vibrations in malonaldehyde
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2015
DOI:10.1016/j.saa.2015.02.067
|
|
|
|
|
[23]
|
Features of the Interaction of Hydroxyl and Methyl Tops in the Ethanol Molecule: 2D-Calculation of the Torsion Energy Levels
Journal of Applied Spectroscopy,
2015
DOI:10.1007/s10812-015-0143-7
|
|
|
|
|
[24]
|
Pyridine N-oxide/trichloroacetic acid complex in acetonitrile: FTIR spectra, anharmonic calculations and computations of 1–3D potential surfaces of O–H vibrations
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2014
DOI:10.1016/j.saa.2013.12.008
|
|
|
|
|
[25]
|
Hydrogen bonded pyridine N-oxide/trichloroacetic acid complex in polar media: 2D potential energy surface and O–H⋯O vibration analysis using exact vibrational Hamiltonian
Journal of Molecular Structure,
2014
DOI:10.1016/j.molstruc.2014.02.016
|
|
|
|