Hydrogen-hydrogen bonding in planar biphenyl, predicted by atoms-in-molecules theory, does not exist

Chemistry - A European Journal

Volumn 12, Issue 10, 2006, Pages 2889-2895

  Poater, Jordi ^a   Solà, Miquel ^b   Bickelhaupt, F Matthias ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b Institut de Quimica Computacional   (Spain)

Author keywords

Atoms in molecules (AIM) theory; Biphenyl; Density functional calculations; Hydrogen hydrogen interaction; Pond energy decomposition; Steric repulsion

Indexed keywords

HYDROGEN BONDS; POTENTIAL ENERGY;

ATOMS-IN-MOLECULES (AIM) ANALYSIS; BIPHENYL; BOND ENERGY; DENSITY FUNCTIONAL THEORY (DFT); HYDROGEN-HYDROGEN INTERACTION; ORTHO-HYDROGEN; PAULI (OR OVERLAP) REPULSION; PHENYL GROUPS; RADICALS; STERIC REPULSION;

QUANTUM THEORY;

EID: 33645324416     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200500850     Document Type: Article

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