Fortran program for calculation of thermodynamic properties of minerals from vibrational spectra

Open-File Report ◽

10.3133/ofr86475 ◽

1986 ◽

Author(s):

S.W. Kieffer

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Fortran Program

Download Full-text

High-pressure vibrational spectra of humite-group minerals: Fluorine effect on thermodynamic properties and hydrogen bonds

Physics of The Earth and Planetary Interiors ◽

10.1016/j.pepi.2021.106654 ◽

2021 ◽

Vol 312 ◽

pp. 106654

Author(s):

Dan Liu ◽

Joseph R. Smyth ◽

Xi Zhu ◽

Yunfan Miao ◽

Yancheng Hu ◽

...

Keyword(s):

High Pressure ◽

Hydrogen Bonds ◽

Thermodynamic Properties ◽

Vibrational Spectra

Download Full-text

Vibrational spectra and thermodynamic properties of tetrachlorothiophene

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(76)80304-2 ◽

1976 ◽

Vol 32 (5) ◽

pp. 1159-1163 ◽

Author(s):

J.A. Faniran

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra

Download Full-text

Vibrational spectra of MO (M = Sn/Pb) in their bulk and single-layer forms: role of avoided crossing in their thermodynamic properties

Bulletin of Materials Science ◽

10.1007/s12034-020-02172-w ◽

2020 ◽

Vol 43 (1) ◽

Author(s):

Raju K Biswas ◽

Swapan K Pati

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Single Layer ◽

Avoided Crossing

Download Full-text

ChemInform Abstract: Vibrational Spectra and Thermodynamic Properties of Thiazole, 2-Aminothiazole, 2-Amino-(2H)-thiazole and 2-Amino-(2H2)-thiazole

10.1002/chin.198919051 ◽

1989 ◽

Vol 20 (19) ◽

Author(s):

J. F. ARENAS ◽

J. PEREZ-PENA ◽

M. GONZALEZ-DAVILA

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra

Download Full-text

Complex Hydrides Li<sub>2</sub>MH<sub>5</sub> (M = B, Al) for Hydrogen Storage Application: Theoretical Study of Structure, Vibrational Spectra and Thermodynamic Properties

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20150306.13 ◽

2015 ◽

Vol 3 (6) ◽

pp. 58 ◽

Author(s):

Melkizedeck Hiiti Tsere ◽

Tatiana P. Pogrebnaya ◽

Alexander M. Pogrebnoi

Keyword(s):

Thermodynamic Properties ◽

Hydrogen Storage ◽

Vibrational Spectra ◽

Theoretical Study ◽

Complex Hydrides

Download Full-text

ChemInform Abstract: FLUORINE PERCHLORATE. VIBRATIONAL SPECTRA, FORCE FIELD, AND THERMODYNAMIC PROPERTIES

Chemischer Informationsdienst ◽

10.1002/chin.198245001 ◽

1982 ◽

Vol 13 (45) ◽

Author(s):

K. O. CHRISTE ◽

E. C. CURTIS

Keyword(s):

Thermodynamic Properties ◽

Force Field ◽

Vibrational Spectra

Download Full-text

Thermodynamic properties and hydrogen speciation from vibrational spectra of dense hydrous magnesium silicates

Physics and Chemistry of Minerals ◽

10.1007/bf00199502 ◽

1996 ◽

Vol 23 (6) ◽

Author(s):

H. Cynn ◽

A.M. Hofmeister ◽

P.C. Burnley ◽

A. Navrotsky

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Magnesium Silicates

Download Full-text

Substituted Methanes. II. Vibrational Spectra and Calculated Thermodynamic Properties of Deuterotribromomethane

The Journal of Chemical Physics ◽

10.1063/1.1747861 ◽

1950 ◽

Vol 18 (8) ◽

pp. 1073-1075 ◽

Author(s):

Salvador M. Ferigle ◽

Forrest F. Cleveland ◽

William M. Boyer ◽

Richard B. Bernstein

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra

Download Full-text

Thermodynamic properties of fluorine compounds—XVIII. Vibrational spectra and calculated thermodynamic properties of pentafluorobenzonitrile

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(76)80309-1 ◽

1976 ◽

Vol 32 (5) ◽

pp. 1195-1197 ◽

Author(s):

J.H.S. Green ◽

D.J. Harrison

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Fluorine Compounds

Download Full-text

Computational studies on the infrared vibrational spectra, thermodynamic properties, detonation properties, and pyrolysis mechanism of octanitrocubane

The Journal of Chemical Physics ◽

10.1063/1.1479136 ◽

2002 ◽

Vol 116 (24) ◽

pp. 10674-10683 ◽

Author(s):

Ji Zhang ◽

Heming Xiao

Keyword(s):

Thermodynamic Properties ◽

Vibrational Spectra ◽

Detonation Properties ◽

Computational Studies ◽

Pyrolysis Mechanism

Download Full-text