/EnthalpyCalculator

Java based application to calculate reaction enthalpy using SYBYL line notation.

Primary LanguageJavaApache License 2.0Apache-2.0

EnthalpyCalculator

by Null_Idea Team

NOTE: Incomplete!

Java based application to calculate reaction enthalpy using SYBYL line notation[1].

[1] Ash, S., Cline, M., Homer, R., Hurst, T., & Smith, G. (1997). SYBYL Line Notation (SLN): A Versatile Language for Chemical Structure Representation †. J. Chem. Inf. Comput. Sci., 37(1), 71-79. http://dx.doi.org/10.1021/ci960109j