Theoretical study of the electronic gas-phase spectrum of glycine, alanine, and related amines and carboxylic acids

Journal of Physical Chemistry A

Volumn 109, Issue 7, 2005, Pages 1430-1440

  Osted, Anders ^a,b   Kongsted, Jacob ^a,b   Christiansen, Ove ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BAND STRUCTURE; CONFORMATIONS; CORRELATION METHODS; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; ULTRAVIOLET RADIATION;

COUPLED CLUSTERS (CC) METHODS; ELECTRONIC EXCITATIONS; HARTREE-FOCK (HF) STATE; RYDBERG EXCITATION;

ELECTRON TRANSITIONS;

ACETIC ACID; ALANINE; AMMONIA; CARBOXYLIC ACID; ETHYLAMINE; FORMIC ACID; FORMIC ACID DERIVATIVE; GLYCINE; METHYLAMINE; PROPIONIC ACID; PROPIONIC ACID DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; GAS; PHASE TRANSITION; QUANTUM THEORY;

ACETIC ACID; ALANINE; AMMONIA; CARBOXYLIC ACIDS; COMPUTER SIMULATION; ELECTRONS; ETHYLAMINES; FORMIC ACIDS; GASES; GLYCINE; METHYLAMINES; MODELS, CHEMICAL; MODELS, MOLECULAR; PHASE TRANSITION; PROPIONIC ACIDS; QUANTUM THEORY;

EID: 14644424618     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045697f     Document Type: Article

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