Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solution
T Giovannini, G Del Frate, P Lafiosca… - Physical Chemistry …, 2018 - pubs.rsc.org
We present a computational methodology based on a polarizable Quantum Mechanical
(QM)/Molecular Mechanics (MM) approach to accurately compute the Vibrational Optical …
(QM)/Molecular Mechanics (MM) approach to accurately compute the Vibrational Optical …
Synthesis, characterization, spectroscopic studies, DFT and molecular docking analysis of N4, N4′-dibutyl-3, 3′-diaminobenzidine
V Vijayakumar, A Prabakaran, N Radhakrishnan… - Journal of Molecular …, 2019 - Elsevier
Abstract N 4, N 4′-dibutyl-3, 3′-diaminobenzidine target molecules were fashioned and
characterized using analytical (UV, NMR, FT-IR, Mass, and CHNS analysis) methods …
characterized using analytical (UV, NMR, FT-IR, Mass, and CHNS analysis) methods …
Molecular layer deposition of aluminum alkoxide polymer films using trimethylaluminum and glycidol
Molecular layer deposition (MLD) of aluminum alkoxide polymer films was examined using
trimethlyaluminum (TMA) and glycidol (GLY) as the reactants. Glycidol is a high vapor …
trimethlyaluminum (TMA) and glycidol (GLY) as the reactants. Glycidol is a high vapor …
Polyglycerol-based polymer network films for potential biomedical applications
D Ekinci, AL Sisson, A Lendlein - Journal of Materials Chemistry, 2012 - pubs.rsc.org
Synthetic polymeric materials are established as being central to many modern approaches
to medical treatments such as biomaterial induced tissue regeneration or drug eluting …
to medical treatments such as biomaterial induced tissue regeneration or drug eluting …
Copolymerization kinetics of glycidol and ethylene oxide, propylene oxide, and 1, 2-butylene oxide: from hyperbranched to multiarm star topology
D Leibig, J Seiwert, JC Liermann, H Frey - Macromolecules, 2016 - ACS Publications
Copolymerization of established epoxide monomers with glycidol (G) is a key reaction to
prepare branched or hyperbranched polyethers. The kinetics of the multibranching anionic …
prepare branched or hyperbranched polyethers. The kinetics of the multibranching anionic …
Insights into the role of RAHB and IHB interactions for the structure-Activity relationship of caged xanthone Morellic Acid: Spectroscopic and DFT exploration …
The current study elaborates on experimental and simulated methods using density
functional theory (DFT) to analyze the structure, electronic characteristics, and vibrational …
functional theory (DFT) to analyze the structure, electronic characteristics, and vibrational …
[PDF][PDF] 甘油碳酸酯合成方法概述
陈松丛, 赵应伟, 刘建华, 夏春谷 - 分子催化, 2012 - jmcchina.org
甘油碳酸酯(glycerolcarbonate, 4 hydroxymeth yl 1, 3 dioxolan 2 one),
又称为碳酸甘油酯, 4 羟甲基 2 羰基 1, 3 二氧戊环, 主要用作反应中间体和溶剂 …
又称为碳酸甘油酯, 4 羟甲基 2 羰基 1, 3 二氧戊环, 主要用作反应中间体和溶剂 …
Synthesis of Acrylate‐Functionalized Polyglycerols and an Investigation of their UV Curing Behaviors
AR You, JY Kim, SW Ryu - ChemistrySelect, 2023 - Wiley Online Library
In this study, hyperbranched polyglycerol (HPG) is synthesized via ring‐opening
polymerization of a glycidol monomer. An epoxy group is introduced at the end of HPG …
polymerization of a glycidol monomer. An epoxy group is introduced at the end of HPG …
Photoelectrochemical effects of hyperbranched polyglycerol in gel electrolytes on the performance of dye-sensitized solar cells
CH Ahn, JD Jeon, SY Kwak - Journal of Industrial and Engineering …, 2012 - Elsevier
A gel electrolyte containing hyperbranched polyglycerol (HPG) was prepared for use in dye-
sensitized solar cells (DSSCs) applications, and the effects of HPG on DSSCs performance …
sensitized solar cells (DSSCs) applications, and the effects of HPG on DSSCs performance …
Simulations on the structure, vibrations and electronic properties of 1, 2–epoxy–3–phenoxy propane and 1, 2–epoxy–3–(p–tolyloxy) propane by FT–IR, FT–Raman, FT …
Complete structural, electronic and vibrational properties of 1, 2–epoxy–3–phenoxy propane
(EPOP) and 1, 2–epoxy–3–(p–tolyloxy) propane (ETOP) molecules have been investigated …
(EPOP) and 1, 2–epoxy–3–(p–tolyloxy) propane (ETOP) molecules have been investigated …