Prediction of the basicities of pyridines in the gas phase and in aqueous solution

Journal of Chemical Information and Modeling

Volumn 50, Issue 1, 2010, Pages 87-96

  Hawe, Glenn I ^a   Alkorta, Ibon ^b   Popelier, Paul L A ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

^b INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINITY; GASES; INTERPOLATION; LEAST SQUARES APPROXIMATIONS; PYRIDINE; QUANTUM CHEMISTRY; TOPOLOGY;

DENSITY PROPERTY; MACHINE LEARNING TECHNIQUES; PARA POSITION; PARTIAL LEAST SQUARE (PLS); PYRIDINE DERIVATIVES; QUANTUM CHEMICAL TOPOLOGY; QUANTUM TOPOLOGICAL MOLECULAR SIMILARITIES; TRAINING SETS;

LEARNING SYSTEMS;

PROTON; PYRIDINE; PYRIDINE DERIVATIVE; WATER;

ARTICLE; CHEMISTRY; GAS; PH; PHYSICAL PHENOMENA; QUANTUM THEORY; REGRESSION ANALYSIS; REPRODUCIBILITY; SOLUTION AND SOLUBILITY;

GASES; HYDROGEN-ION CONCENTRATION; LEAST-SQUARES ANALYSIS; PHYSICAL PROCESSES; PROTONS; PYRIDINES; QUANTUM THEORY; REPRODUCIBILITY OF RESULTS; SOLUTIONS; WATER;

EID: 75749088519     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci900396k     Document Type: Article

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