Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM.

By Thom Vreven, K. Byun, I. Komáromi, S. Dapprich, J. Montgomery, Keiji Morokuma, M. Frisch. Journal of Chemical Theory and Computation, 2006

843 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Electrical and Electronic Engineering

View Paper: https://www.semanticscholar.org/paper/506a7e6cd2a81680616849b2f62c991711675a8b

How researchers see this paper

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

In Atomic and Molecular Physics, and Optics

1. Hans Senn
2. Walter Thiel

In Electrical and Electronic Engineering

1. Walter Thiel
2. Hans Senn

Citations in the corpus

• QM/MM Methods for Biological Systems (2006, background): “A minimum requirement is that QM atoms participating in bond making or breaking should not be involved in any bonded coupling term [50].”