Simulation of water potential for the electronic structure of serine

Chinese Physics B

Volumn 18, Issue 5, 2009, Pages 1968-1978

  Xing Rong, Wang ^a   Hao Ping, Zheng ^a  

^a TONGJI UNIVERSITY   (China)

Author keywords

Electronic structure; Self consistent cluster embedding calculation; Serine; Water

Indexed keywords

AB INITIO CALCULATIONS; DIPOLE POTENTIAL; EFFECT OF WATER; ELECTRONIC STRUCTURE CALCULATIONS; EMBEDDING METHOD; FIRST-PRINCIPLES; MINIMUM ENERGY; SELF-CONSISTENT CLUSTER-EMBEDDING CALCULATION; SERINE; WATER EFFECTS; WATER MOLECULE; WATER POTENTIAL;

AMINO ACIDS; ELECTRONIC PROPERTIES; MOLECULES;

ELECTRONIC STRUCTURE;

EID: 67650751875     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/18/5/040     Document Type: Article

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