Experimental, Hartree-Fock, and density functional theory investigations of the charge density, dipole moment, electrostatic potential, and electric field gradients in L-asparagine monohydrate

Journal of the American Chemical Society

Volumn 122, Issue 19, 2000, Pages 4708-4717

  Arnold, William D ^a   Sanders, Lori K ^a   McMahon, Michael T ^a   Volkov, Anatoliy V ^b   Wu, Guang ^b   Coppens, Philip ^b   Wilson, Scott R ^a   Godbout, Nathalie ^a   Oldfield, Eric ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASPARAGINE;

ARTICLE; DIPOLE; ELECTRIC FIELD; ELECTRIC POTENTIAL; ENZYME ACTIVE SITE; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

EID: 0034678997     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja000386d     Document Type: Article

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