Gulliver in the Country of Lilliput

Noncovalent interactions are the bridge between ideal gas abstraction and the real world. For a long time, they were covered by two terms: van der Waals interactions and hydrogen bonding. Both experimental and quantum chemical studies have contributed to our understanding of the nature of these inte...

詳細記述

保存先:

書誌詳細
フォーマット:	Online
言語:	英語
出版事項:	MDPI - Multidisciplinary Digital Publishing Institute 2021
主題:	solvent effect hydrogen bond NMR condensed matter polarizable continuum model reaction field external electric field proton transfer halogen bond phosphine oxide 31P NMR spectroscopy IR spectroscopy non-covalent interactions spectral correlations Reaction mechanism first-principle calculation Bader charge analysis activation energy transition state structure conventional and non-conventional H-bonds empirical Grimme corrections lattice energy of organic salts computation of low-frequency Raman spectra confinement solid-state NMR molecular dynamics interfaces and surfaces substituent effect aromaticity adenine Lewis acid–Lewis base interactions tetrel bond pnicogen bond triel bond electron charge shifts proton dynamics carboxyl group CPMD DFT IINS IR Raman crystal engineering halogen bonding azo dyes QTAIM dispersion ketone–alcohol complexes density functional theory hydrogen bonds molecular recognition vibrational spectroscopy gas phase benchmark pinacolone deuteration heavy drugs histamine receptor hydrogen bonding receptor activation n/a thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general
オンライン･アクセス:	ONIX_20210501_9783036504308_279
タグ:	タグ追加タグなし, このレコードへの初めてのタグを付けませんか!

このレコードへの初めてのコメントを付けませんか!

Gulliver in the Country of Lilliput

類似資料