Нашел один чудный ресурс, на котором есть вот такие материалы:
1. Giuseppe Balacco
A Desktop Calculator for the Karplus Equation
J. Chem. Inf. Comput. Sci., 1996, 36 (4), pp 885–887
- DOI:
http://dx.doi.org/10.1021/ci950227r
The relationship between proton-proton NMR coupling constants and substituent electronegativities-I: An empirical generalization of the Karplus equation
Tetrahedron, 1980, 36, pp 2783-2792
- DOI:
http://dx.doi.org/10.1016/0040-4020(80)80155-4
Vicinal Proton Coupling in Nuclear Magnetic Resonance
J. Am. Chem. Soc., 1963, 85 (18), pp 2870–2871
- DOI:
http://dx.doi.org/10.1021/ja00901a059
Sweet J
A Desktop Calculator for the Karplus Equation
Код: Выделить всё
http://www.inmr.net/sweetj.html