Ab initio calculation of torsion and inversion barriers of the amino group in aminopyrimidines

Journal of Physical Chemistry A

Volumn 109, Issue 14, 2005, Pages 3244-3249

  Golovacheva, Anna Yu ^a   Romanov, Alexey N ^b   Sulimov, Vladimir B ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b Algodign ^*  (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; AMINOPYRIMIDINES; INVERSION BARRIERS; MOLECULAR MECHANICS;

ATOMS; CALCULATIONS; CORRELATION METHODS; DISCRETE FOURIER TRANSFORMS; ELECTRONS; INVERSE KINEMATICS; MOLECULES; TORSIONAL STRESS;

NITROGEN COMPOUNDS;

AMINE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY;

AMINES; MODELS, MOLECULAR; PYRIMIDINES;

EID: 17444390858     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044543x     Document Type: Article

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