13C chemical shielding tensors in ampicillin and penicillin-V: A theoretical study

Journal of Physical Chemistry A

Volumn 104, Issue 24, 2000, Pages 5837-5842

  Rich, Joyia E ^a   Manalo, Marion N ^a   De Dios, Angel C ^a  

^a GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; MOLECULAR STRUCTURE; STATISTICAL METHODS; TENSORS;

CHEMICAL SHIELDING TENSORS; GAGE-INCLUDING ATOMIC ORBITAL (GIAO) METHOD; HARTREE-FOCK METHOD; HYBRID DENSITY FUNCTIONAL METHOD; PRINCIPAL COMPONENT ANALYSIS (PCA);

ANTIBIOTICS;

EID: 0033705816     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp994281c     Document Type: Article

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