J. Comp. Chem. 29 (2008) 2268-2278

C. M. Zicovich-Wilson, F. J. Torres, F. Pascale, L. Valenzano, R. Orlando, R. Dovesi

Ab initio simulation of the IR spectra of pyrope, grossular, and andradite

 

Vibrations
Animation
Vectors
View
Entire Cell Few atoms
View
Perspective
Along
Polyhedra
NoneTransp.Solid
Atoms size
Tiny Small Big
Bond width
Thin Thick
Grossular_TO Ca Al Si O
Grsossular_LO Ca Al Si O