Kabisch G,Pollmer K.Hydrogen bonding in methanol-organic solvent and methanol-water mixtures as studied by vco and vOH Raman bands. Journal of Molecular Structure . 1982Hydrogen bonding in methanol-organic solvent and methanol-water mixtures as studied by vco and vOH Raman bands. Kabisch G,...
Zeidler, Hydrogen bonding in liquid methanol at ambient conditions and at high pressure, Mol. Phys. 98 (2000) 125-134.Weitkamp, T.; Neuefeind, J.; Fischer, H. E.; Zeidler, M. D. Hydrogen Bonding in Liquid Methanol at Ambient Conditions and at High Pressure. Mol. Phys. 2000, 98, ...
L. Hydrogen bonding definitions and dynamics in liquid water. The Journal of Chemical Physics 126, 204107 (2007). 21. Heyden, M. et al. Dissecting the THz spectrum of liquid water from first principles via correlations in time and space. Proceedings of the National Academy of Sciences 107,...
The hydrogen bonding interaction of formamide–nitrosyl hydride complex has been investigated using density functional theory (DFT) and ab initio method. T... Y Liu,W Liu,H Li,... - 《Journal of Molecular Structure Theochem》 被引量: 69发表: 2006年 The Hydrolysis Mechanism of Formamide Revisi...
This has been attributed to an insufficient consideration for the long-range hydrogen-bonding in the model. 展开 DOI: 10.1080/00268978300102771 被引量: 28 年份: 2006 收藏 引用 批量引用 报错 分享 全部来源 免费下载 求助全文 全文购买 Taylor & Francis 国家科技图书文献中心 (权威机构) 掌桥科研 dx....
The excited state hydrogen bonding dynamics of BBVN in hydrogen donating methanol solvent was explored at the TD-BMK/cc-pVDZ level of theory with accounting for the bulk environment effects at the polarizable continuum model (PCM). The heteroatoms of the BBVN laser dye form hydrogen bonds with ...
Molecular diffusion in aqueous methanol solutions: The combined influence of hydrogen bonding and hydrophobic ends doi:10.1063/5.0233900Although the nonmonotonic variation in the diffusion coefficients of alcohol and water with changing alcohol concentrations in aqueous solutions has been reported for many ...
organic compounds/ hydrogen bondingintramolecular motionsliquid methanolsupercritical methanolmolecular dynamics simulationsflexible 3-sites modelMolecular dynamics (MD) simulations of liquid and supercritical methanol have been performed using a well known flexible 3-sites model. The analysis of the hydrogen ...
A major interest of this laboratory has been the study of intramolecular hydrogen (H) bonding in isolated molecules.l 2-Bicyclopropylidenylmethanol (BIe) has been chosen for study this time. l'I,ineallstaggered forms are possible for this compound as a result of rotation around the C5-C7 ...
Experimental IR and solution phase spectra of (R)-(-)-2-Pyrrolidinemethanol showing evidence of hydrogen bonding have been interpreted by computing vibrati... Tonannavar,B Yashaswita,Chavan,... - 《Spectrochimica Acta Part A Molecular & Biomolecular Spectroscopy》 被引量: 3发表: 2015年 A te...