Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids.

BG Tehan, EJ Lloyd, MG Wong, WR Pitt… - Quantitative …, 2002 - Wiley Online Library
The electronic properties of small molecules can be calculated quickly and with a
reasonable degree of accuracy using semiempirical QM methods. In this study a set of QM …
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[引用][C] Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to Phenols and Carboxylic Acids.

BG Tehan, EJ Lloyd, MG Wong, WR Pitt… - Quantitative Structure …, 2002 - cir.nii.ac.jp
Estimation of pKa Using Semiempirical Molecular Orbital Methods. Part 1: Application to
Phenols and Carboxylic Acids. | CiNii Research CiNii 国立情報学研究所 学術情報ナビゲータ[サイニィ …

[引用][C] Estimation of pKa using semiempirical molecular orbital methods. Part 1: application to phenols and carboxylic acids

BG Tehan, EJ Lloyd, MG Wong, WR Pitt… - Quantitative …, 2002 - research.monash.edu
Estimation of pKa using semiempirical molecular orbital methods. Part 1: application to
phenols and carboxylic acids — Monash University Skip to main navigation Skip to search Skip …