Journal article
CHEMSHIFT: A FORTRAN program to calculate 29Si mas NMR chemical shift of silicate minerals
Abstract
CHEMSHIFT, a FORTRAN program, has been developed to calculate 29Si chemical shift from the position and valence of bonds surrounding a silicate tetrahedron. The input for the program is the atomic positions and connectivities of silicate structures constructed using the Chem-X structure modeling program.
Authors
Sherriff BL; Singh V; Liang J; Grundy HD
Journal
Computers & Geosciences, Vol. 17, No. 7, pp. 967–972
Publisher
Elsevier
Publication Date
January 1991
DOI
10.1016/0098-3004(91)90091-q
ISSN
0098-3004