Quantum chemical investigations on molecular clusters
A cluster is an aggregate of bound atoms or molecules, intermediate in size between a
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …
Molecular tailoring approach for the estimation of intramolecular hydrogen bond energy
MM Deshmukh, SR Gadre - Molecules, 2021 - mdpi.com
Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological
processes. Theoretical methods can reliably estimate the intermolecular HB energies …
processes. Theoretical methods can reliably estimate the intermolecular HB energies …
Sorbitol dehydration in high temperature liquid water
A Yamaguchi, N Hiyoshi, O Sato, M Shirai - Green Chemistry, 2011 - pubs.rsc.org
Sorbitol dehydration in high temperature liquid water proceeded at 523–573 K without
adding any acid catalysts. Anhydrosorbitols (1, 4-anhydrosorbitol (1, 4-AHSO), 2, 5 …
adding any acid catalysts. Anhydrosorbitols (1, 4-anhydrosorbitol (1, 4-AHSO), 2, 5 …
Development of polypropylene microporous hydrophilic membranes by blending with PP-g-MA and PP-g-AA
Cast films based on polypropylene (PP) blended with commercial maleic anhydride or
acrylic acid grafted polypropylene (PP-g-MA and PP-g-MA) at different weight ratios were …
acrylic acid grafted polypropylene (PP-g-MA and PP-g-MA) at different weight ratios were …
Crystalline ethane-1, 2-diol does not have intra-molecular hydrogen bonding: Experimental and theoretical charge density studies
The X-ray structure and electron density distribution of ethane-1, 2-diol (ethylene glycol),
obtained at a resolution extending to 1.00 Å− 1 in sinθ/λ (data completion= 100% at 100K) …
obtained at a resolution extending to 1.00 Å− 1 in sinθ/λ (data completion= 100% at 100K) …
Conformational study of monomeric 2, 3-butanediols by matrix-isolation infrared spectroscopy and DFT calculations
The FT-IR spectra of two diastereomers of 2, 3-butanediol,(R, S) and (S, S), isolated in low-
temperature argon and xenon matrixes were studied, allowing the identification of two …
temperature argon and xenon matrixes were studied, allowing the identification of two …
Intramolecular hydrogen bond energy in polyhydroxy systems: a critical comparison of molecular tailoring and isodesmic approaches
MM Deshmukh, CH Suresh… - The Journal of Physical …, 2007 - ACS Publications
The intramolecular hydrogen bond (H-bond) energies in several polyhydroxy systems are
estimated using an isodesmic/homodesmic reaction approach as well as a molecular …
estimated using an isodesmic/homodesmic reaction approach as well as a molecular …
Hydrophilic modification of polypropylene microporous membranes by grafting TiO2 nanoparticles with acrylic acid groups on the surface
Hydrophilic microporous membranes were prepared based on polypropylene (PP) cast films
blended with a commercial acrylic acid grafted polypropylene (PP-g-AA) via melt extrusion …
blended with a commercial acrylic acid grafted polypropylene (PP-g-AA) via melt extrusion …
Enhancement of cyclic ether formation from polyalcohol compounds in high temperature liquid water by high pressure carbon dioxide
A Yamaguchi, N Hiyoshi, O Sato, KK Bando… - Green Chemistry, 2009 - pubs.rsc.org
Cyclic ethers were produced by a dehydration reaction of polyalcohol compounds in high
temperature liquid water, which was accelerated by the presence of carbon dioxide …
temperature liquid water, which was accelerated by the presence of carbon dioxide …
Promotion effect of the 1, 2-propanediol on the gel-related properties of locust bean gum/xanthan synergistic gel system
L Lin, Y Liu, B Zhang, G Zhao, W Guo, J Chen, F Jiang… - Food Chemistry, 2024 - Elsevier
The synergistic interaction gels of locust bean gum (LBG)/xanthan show great potential for
application in the food industry, such as 3D printing and taste/texture simulation. Including 1 …
application in the food industry, such as 3D printing and taste/texture simulation. Including 1 …