Ab initio molecular orbital calculations including solvent effects by generalized Born formula. Conformation of zwitterionic forms of glycine, alanine and serine in water

Journal of Molecular Structure: THEOCHEM

Volumn 305, Issue C, 1994, Pages 79-87

  Kikuchi, Osamu ^a   Matsuoka, Takayuki ^a   Sawahata, Hiroyuki ^a   Takahashi, Ohgi ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002645038     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(94)80143-6     Document Type: Article

References (30)

1. PM3-SM3: A general parameterization for including aqueous solvation effects in the PM3 molecular orbital model
2. Reduction potentials of various aromatic hydrocarbons and their univalent anions
3. Theoretical study of the association of glycine molecules on ionic crystals NaCl, KI, LiF in aqueous solution
4. On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals
5. Microwave spectrum and conformation of glycine
6. A model study of the intermolecular interactions of amino acids in aqueous solution: The glycine-water system
7. The Electronic Structures of Glycine in the Isolated State and in Water
8. Precision neutron diffraction structure determination of protein and nucleic acid components. III. The crystal and molecular structure of the amino acid α-glycine