Torsional and rotational couplings in nonrigid molecules

Physical Review A ◽

10.1103/physreva.95.023402 ◽

2017 ◽

Vol 95 (2) ◽

Author(s):

Juan J. Omiste ◽

Lars Bojer Madsen

Keyword(s):

Nonrigid Molecules

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Distance degree vector and scalar sequences of corona and lexicographic products of graphs with applications to dynamic NMR and dynamics of nonrigid molecules and proteins

Theoretical Chemistry Accounts ◽

10.1007/s00214-021-02719-y ◽

2021 ◽

Vol 140 (3) ◽

Author(s):

Medha Itagi Huilgol ◽

B. Divya ◽

Krishnan Balasubramanian

Keyword(s):

Dynamic Nmr ◽

Nonrigid Molecules

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Optical activity of nonrigid molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.560150614 ◽

1979 ◽

Vol 15 (6) ◽

pp. 713-715 ◽

Author(s):

J. Philippot ◽

I. Sengers

Keyword(s):

Optical Activity ◽

Nonrigid Molecules

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Application of the theory of symmetry of nonrigid molecules to the calculation of the conformational dependences of the torsional potential and dipole moment of acetone-related molecules

International Journal of Quantum Chemistry ◽

10.1002/qua.560220112 ◽

1982 ◽

Vol 22 (1) ◽

pp. 115-125 ◽

Author(s):

A. Toro Labbe ◽

J. Maruani

Keyword(s):

Dipole Moment ◽

Torsional Potential ◽

Nonrigid Molecules

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Potential energy surface determinations for nonrigid molecules: Application to acetone

International Journal of Quantum Chemistry ◽

10.1002/qua.560230221 ◽

1983 ◽

Vol 23 (2) ◽

pp. 507-516 ◽

Author(s):

Yves G. Smeyers ◽

M. Nieves Bellido

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Nonrigid Molecules

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Static electric polarization of simple nonrigid molecules

The Journal of Physical Chemistry ◽

10.1021/j100272a036 ◽

1985 ◽

Vol 89 (26) ◽

pp. 5755-5758

Author(s):

Akio Morita ◽

Hiroshi Watanabe

Keyword(s):

Electric Polarization ◽

Nonrigid Molecules

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A new approach to the Hamiltonian of nonrigid molecules

Large Amplitude Motion in Molecules II - Topics in Current Chemistry ◽

10.1007/bfb0048009 ◽

2006 ◽

pp. 97-175 ◽

Author(s):

Georg Ole Sørensen

Keyword(s):

New Approach ◽

Nonrigid Molecules

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Derivation of ρ-dependent coordinate transformations for nonrigid molecules in the Hougen–Bunker–Johns formalism

The Journal of Chemical Physics ◽

10.1063/5.0016365 ◽

2020 ◽

Vol 153 (8) ◽

pp. 084102

Author(s):

Dominika Viglaska ◽

Michael Rey ◽

Andrei V. Nikitin ◽

Vladimir G. Tyuterev

Keyword(s):

Coordinate Transformations ◽

Nonrigid Molecules

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Isomer numbers of nonrigid molecules. The cyclohexane case

The Journal of Physical Chemistry ◽

10.1021/j100538a016 ◽

1977 ◽

Vol 81 (23) ◽

pp. 2212-2214 ◽

Author(s):

Jack E. Leonard

Keyword(s):

Nonrigid Molecules

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Relaxation of structural parameters and potential coefficients of nonrigid molecules. General symmetry properties and application to ab initio study of 1,2-difluoroethane

Chemical Physics ◽

10.1016/0301-0104(89)87157-5 ◽

1989 ◽

Vol 134 (2-3) ◽

pp. 203-228 ◽

Author(s):

T.-K. Ha ◽

H.H. Günthard

Keyword(s):

Ab Initio ◽

Structural Parameters ◽

Ab Initio Study ◽

General Symmetry ◽

Nonrigid Molecules ◽

Symmetry Properties

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Quantum corrections to a semiclassical approximation for describing vibration-rotation spectra of nonrigid molecules: the example of an asymmetric top

10.1117/12.267736 ◽

1997 ◽

Author(s):

A. S. Skalozub ◽

Artyom Y. Tsaune

Keyword(s):

Semiclassical Approximation ◽

Quantum Corrections ◽

Nonrigid Molecules ◽

Asymmetric Top ◽

Vibration Rotation

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