Comparison of the proton-transfer path in hydrogen bonds from theoretical potential-energy surfaces and the concept of conservation of bond order. II. (N - H⋯N)+ hydrogen bonds

Acta Crystallographica Section B: Structural Science

Volumn 63, Issue 4, 2007, Pages 650-662

  Majerz, Irena ^a   Olovsson, Ivar ^b  

^a UNIVERSITY OF WROC AW   (Poland)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Bond order; Hydrogen bonding; Potential energy surfaces; Proton transfer

Indexed keywords

COMPUTATION THEORY; CRYSTAL STRUCTURE; HYDROGEN BONDS; OPTIMIZATION; PROTON TRANSFER; X RAY ANALYSIS;

BOND ORDER; POTENTIAL-ENERGY SURFACES;

QUANTUM THEORY;

EID: 34547164972     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768107022239     Document Type: Article

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