A method which permits the calculation of diagonal and non-diagonal force constant matrices

Chacón, Óscar; Matzke, P.

doi:10.1016/0022-2860(71)85041-x

Cited by 25 publications

(1 citation statement)

References 12 publications

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“…The symmetry coordinates were those reported by Sch~ifer et al (1972), which correspond very well with ours. The elements of the G-matrix were calculated according to Wilson's S-vector method (Wilson et al, 1955); the procedure for evaluating the force constants was that of Chacon and Matzke (1971). The vibrational assignment (Durig et al, 1970) and the resulting data can be seen in Table 3.…”

Section: Force-constant Calculationmentioning

confidence: 99%

Force-field andab initio calculations of five-membered rings: I. Symmetry coordinates for molecules with nonideal pentagonal geometry

Kalcher

Kosmus

1983

Journal of Crystallographic and Spectroscopic Research

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Section: Force-constant Calculationmentioning

confidence: 99%

Force-field andab initio calculations of five-membered rings: I. Symmetry coordinates for molecules with nonideal pentagonal geometry

Kalcher

Kosmus

1983

Journal of Crystallographic and Spectroscopic Research

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Old Tools Updated for New Problems: RAMAN Spectroscopic Studies on the Structure of Inorganic Compounds

Eysel

1981

Ber Bunsenges Phys Chem

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The present paper gives a survey over applications of vibrational spectroscopy — especially RAMAN methods — in inorganic chemistry. The following topics are covered: analytical application for the characterisation of molecular compounds, their symmetry and structure, discussion of bond properties by means of Valence Force Field methods, effects of intermolecular interactions on the spectra of liquids and solids. The importance of intensity calculations for the check and improvement of force field calculations is briefly referred to. These different aspects of RAMAN spectroscopy are introduced using examples from recent literature and from the current work of the author.

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Calculation of Diagonal Force Constants by the Stepwise Coupling Method: M.P.E.M. (Matrix Polynomial Expansion Method)

Alix

Veken²,

Isotani

et al. 1982

Bulletin des Soc Chimique

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A l a i n J.P.ALIX(a Benjamin Van d e r VEKEN(b), S a d a o ISOTANI(C) a n d M i c h e l MANFAIT(a) ( a ) L a b o r a t o i r e deRecherches O p t i q u e s , F a c u l t 6 d e s S c i e n c e s , B P 3 4 7 , 51062 REIMS-CEDEX ( F r a n c e ) . ( b ) R i j k s u n i v e r s i t a i r Centrum, L a b o r a t o r i u m v o o r A n o r g a n i s c h e S c h e i k u n d e , G r o e n e n b o r g e r l a a n 1 7 1 , 2020 Antwerpen ( B e l g i u m ) .( c ) I n s t i t u t o d e F i s i c a d a Universida.de d e SBo P a u l o , SbO PAULO, C.P. 20516 ( B r a s i l ) . ( * ) A u t h o r t o whom a l l c o r r e s p o n d e n c e s h o u l d b e a d d r e s s e d .

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A method which permits the calculation of diagonal and non-diagonal force constant matrices

Cited by 25 publications

References 12 publications

Force-field andab initio calculations of five-membered rings: I. Symmetry coordinates for molecules with nonideal pentagonal geometry

Force-field andab initio calculations of five-membered rings: I. Symmetry coordinates for molecules with nonideal pentagonal geometry

Old Tools Updated for New Problems: RAMAN Spectroscopic Studies on the Structure of Inorganic Compounds

Calculation of Diagonal Force Constants by the Stepwise Coupling Method: M.P.E.M. (Matrix Polynomial Expansion Method)

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