RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

By G. Rocha, R. O. Freire, A. Simas, James J. P. Stewart. Journal of Computational Chemistry, 2006

619 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/706943b08409a32c73480fdfb9956e9eaf27e73f

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. F. Long
2. R. Nicholls
3. G. Murshudov

In Organic Chemistry

1. André Silva Pimentel
2. R. Viana
3. A. D. Silva

Citations in the corpus

• AceDRG: a stereochemical description generator for ligands (2017, methodology): “These are either based on molecular-mechanics force fields, Mogul (Bruno et al. , 2004) from the Cambridge Structural Database (CSD) or semi-empirical quantum-chemical (QM) calculations (Rocha et al. , 2006).”
• Infrared Spectroscopy of Anionic, Cationic, and Zwitterionic Surfactants (2012, methodology): “AM1 [24], RM1 [25], and PM6 [26] were employed for semiempirical calculations.”