MOPAC (Molecular Orbital PACkage) is a semiempirical quantum chemistry program based on Dewar and Thiel’s NDDO approximation. Most users use MOPAC with a Graphical User Interface.
Keywords for this software
References in zbMATH (referenced in 5 articles )
Showing results 1 to 5 of 5.
- Falls, Zackary; Lonie, David C.; Avery, Patrick; Shamp, Andrew; Zurek, Eva: XtalOpt version r9: an open-source evolutionary algorithm for crystal structure prediction (2016)
- Irsai, Izabella; Majdik, Cornelia; Lupan, Alexandru; Silaghi-Dumitrescu, Radu: Secondary structure elements in polylactic acid models (2012)
- Laszlo, Tarko: Monte Carlo method for identification of outlier molecules in QSAR studies (2010)
- Tarko, Laszlo; Putz, Mihai V.: On electronegativity and chemical hardness relationships with aromaticity (2010)
- Lewis, James P.; Liu, Shubin; Lee, Tai-Sung; Yang, Weitao: A linear-scaling quantum mechanical investigation of cytidine deaminase (1999)