Amide-π interactions between formamide and benzene

Journal of Computational Chemistry

Volumn 30, Issue 14, 2009, Pages 2267-2276

  Imai, Yumi N ^a,b   Inoue, Yoshihisa ^b   Nakanishi, Isao ^a,c   Aura, Kazuo Kit ^a  

^a KYOTO UNIVERSITY   (Japan)

^b TAKEDA PHARMACEUTICAL COMPANY LIMITED   (Japan)

^c KINKI UNIVERSITY   (Japan)

Author keywords

Ab initio calculation; Amide group; Interaction energy; Protein data bank (pdb); Protein ligand interaction

Indexed keywords

AB INITIO CALCULATION; AMIDE GROUP; INTERACTION ENERGY; PROTEIN DATA BANK (PDB); PROTEIN-LIGAND INTERACTION;

AROMATIC COMPOUNDS; ATOMS; BENZENE; CALCULATIONS; COMPUTATIONAL GEOMETRY; LIGANDS; MODEL STRUCTURES; OXYGEN; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AMIDES;

AMIDE; BENZENE; FORMAMIDE; FORMAMIDE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; THERMODYNAMICS;

AMIDES; BENZENE; COMPUTER SIMULATION; FORMAMIDES; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS;

EID: 70349438870     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21212     Document Type: Article

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