Practical calculation of molecular acidity with the aid of a reference molecule

Journal of Physical Chemistry A

Volumn 115, Issue 7, 2011, Pages 1293-1304

  Burger, Steven K ^a   Liu, Shubin ^b   Ayers, Paul W ^a  

^a MCMASTER UNIVERSITY   (Canada)

^b UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM IONS; AROMATIC AMINES; ATOMIC ORBITAL ANALYSIS; CONJUGATE ACID; DATA SETS; LINEAR FREE ENERGY; OXYGEN-CONTAINING COMPOUNDS; PRACTICAL CALCULATION; ROOT MEAN SQUARED ERRORS; THREE-VARIABLE MODELS; TRANSITION STATE; VARIABLE MODEL;

AMMONIUM COMPOUNDS; CARBOXYLIC ACIDS; HYDROGEN SULFIDE; MOLECULES; OXYGEN; PROTONS; QUANTUM CHEMISTRY;

AMINES;

EID: 79951824875     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp111148q     Document Type: Article

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