A generalized hybrid orbital (GHO) method for the treatment of boundary atoms in combined QM/MM calculations

Jiali Gao, Patricia Amara, Cristobal Alhambra, Martin J. Field

Research output: Contribution to journalArticlepeer-review

483 Scopus citations

Fingerprint

Dive into the research topics of 'A generalized hybrid orbital (GHO) method for the treatment of boundary atoms in combined QM/MM calculations'. Together they form a unique fingerprint.

Physics & Astronomy

Chemical Compounds