General derivative relations for anharmonic force fields

Molecular Physics ◽

10.1080/002689796173138 ◽

1996 ◽

Vol 89 (5) ◽

pp. 1213-1221 ◽

Author(s):

WESLEY D. ALLEN ◽

ATTILA G. CSÁSZÁR ◽

VIKTOR SZALAY ◽

IAN M. MILLS

Keyword(s):

Force Fields ◽

Anharmonic Force

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Infrared spectroscopy of ClONO2 and BrONO2 investigated by means of anharmonic force fields

Chemical Physics ◽

10.1016/j.chemphys.2006.11.016 ◽

2007 ◽

Vol 331 (2-3) ◽

pp. 438-446 ◽

Author(s):

Milena Petković

Keyword(s):

Infrared Spectroscopy ◽

Force Fields ◽

Anharmonic Force

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Anharmonic force fields of perchloric acid, HClO4, and perchloric anhydride, Cl2O7. An extreme case of inner polarization

Journal of Molecular Structure ◽

10.1016/j.molstruc.2005.07.009 ◽

2006 ◽

Vol 780-781 ◽

pp. 310-316 ◽

Author(s):

A. Daniel Boese ◽

Jan M.L. Martin

Keyword(s):

Perchloric Acid ◽

Force Fields ◽

Extreme Case ◽

Anharmonic Force

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Anharmonic force fields from analytic second derivatives: Method and application to methyl bromide

Chemical Physics Letters ◽

10.1016/0009-2614(89)87263-x ◽

1989 ◽

Vol 157 (4) ◽

pp. 367-373 ◽

Author(s):

Winfried Schneider ◽

Walter Thiel

Keyword(s):

Methyl Bromide ◽

Force Fields ◽

Second Derivatives ◽

Anharmonic Force

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ChemInform Abstract: Anharmonic Force Fields of Arsine, Stibine, and Bismutine

10.1002/chin.199519001 ◽

2010 ◽

Vol 26 (19) ◽

pp. no-no

Author(s):

J. BREIDUNG ◽

W. THIEL

Keyword(s):

Force Fields ◽

Anharmonic Force

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The Harmonic and Anharmonic Force Fields of Nitrosyl Halides

Spectroscopy Letters ◽

10.1080/00387018808082338 ◽

1988 ◽

Vol 21 (8) ◽

pp. 745-755 ◽

Author(s):

J. Guillermo Contreras ◽

Juan A. Gnecco

Keyword(s):

Force Fields ◽

Anharmonic Force

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Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?

The Journal of Physical Chemistry A ◽

10.1021/jp508422u ◽

2014 ◽

Vol 119 (9) ◽

pp. 1701-1714 ◽

Author(s):

Manoj K. Kesharwani ◽

Brina Brauer ◽

Jan M. L. Martin

Keyword(s):

Vibrational Energy ◽

Force Fields ◽

Energy Scale ◽

Density Functionals ◽

Scale Factors ◽

Zero Point Vibrational Energy ◽

Anharmonic Force

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Determination of spectroscopic constants and anharmonic force-fields for HOCl and DOCl using scaled external correlation

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00142-6 ◽

1999 ◽

Vol 487 (1-2) ◽

pp. 75-85 ◽

Author(s):

H. Zhang ◽

B. Ramachandran ◽

J. Senekowitsch ◽

R.E. Wyatt

Keyword(s):

Force Fields ◽

Spectroscopic Constants ◽

Anharmonic Force

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Spectroscopic constants and anharmonic force fields of F2SO: An ab inito study

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136814 ◽

2019 ◽

Vol 736 ◽

pp. 136814 ◽

Author(s):

Lihan Chi ◽

Meishan Wang ◽

Chuanlu Yang ◽

Xin Li ◽

Xiaoguang Ma

Keyword(s):

Force Fields ◽

Spectroscopic Constants ◽

Ab Inito ◽

Anharmonic Force

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Ab initio anharmonic force fields and spectroscopic properties for HC5N and HC5NH+, molecules of interest to astrochemistry

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(97)00018-8 ◽

1997 ◽

Vol 53 (8) ◽

pp. 1079-1090 ◽

Author(s):

P. Botschwina ◽

Ä. Heyl ◽

M. Oswald ◽

T. Hirano

Keyword(s):

Ab Initio ◽

Force Fields ◽

Spectroscopic Properties ◽

Anharmonic Force

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Coupled cluster anharmonic force fields, spectroscopic constants, and vibrational energies of AIF3 and SiF3+

The Journal of Chemical Physics ◽

10.1063/1.474613 ◽

1997 ◽

Vol 107 (6) ◽

pp. 1717-1724 ◽

Author(s):

Youngshang Pak ◽

Edwin L. Sibert ◽

R. Claude Woods

Keyword(s):

Force Fields ◽

Spectroscopic Constants ◽

Coupled Cluster ◽

Vibrational Energies ◽

Anharmonic Force

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