✦ LIBER ✦

Hydrogen-bonding effects on correlation analysis of n-octanol/water partition coefficients and molecular properties for chlorinated phenols

✍ Scribed by Mamoru Kamiya; Masaaki Tanaka

Book ID: 116080506
Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 358 KB
Volume: 31
Category: Article
ISSN: 0045-6535
DOI: 10.1016/0045-6535(95)00262-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Hydrophobicity parameters determined by

Hydrophobicity parameters determined by reversed-phase liquid chromatography: VIII. Hydrogen-bond effects of ester and amide groups in heteroaromatic compounds on the relationship between the capacity factor and the octanol—water partition coefficient

✍ Yamagami Chisako; Yokota Miho; Takao Narao 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 959 KB

Molecular mechanical models for organic

Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases

✍ Piotr Cieplak; James Caldwell; Peter Kollman 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 145 KB

## Abstract We have developed a methodology to derive RESP charges for molecular mechanical models that include “lone pairs” on lone‐pair donor sites and atom‐centered polarizabilities. This approach uses a very high level __ab initio__ cc‐pVTZ basis set,1 where the multipole moments of the molecul