[PDF][PDF] Interaction of valine with water molecules: Raman and DFT study
Interaction of non-ionized and zwitterionic forms of valine with water molecules is studied
using Raman spectroscopy and quantum chemical calculations. An integral equation …
using Raman spectroscopy and quantum chemical calculations. An integral equation …
Hydrogen bonding investigation in 1-ethyl-3-methylimidazolium based ionic liquids from density functional theory and atoms-in-molecules methods
MR Housaindokht, HE Hosseini, MSS Googheri… - Journal of Molecular …, 2013 - Elsevier
Because of special importance of hydrogen bond in the non-bonded interaction potential
between two ionic liquid's parts is decided to investigate hydrogen bonding in these …
between two ionic liquid's parts is decided to investigate hydrogen bonding in these …
[HTML][HTML] Applications of molecular modeling in the design of new insect repellents targeting the odorant binding protein of Anopheles gambiae
RS Affonso, AP Guimarães, AA Oliveira… - Journal of the Brazilian …, 2013 - SciELO Brasil
Mosquitoes are responsible for conveying various diseases caused by viruses, parasites
and helminthes. Considering the cost and complexity of the treatment of these diseases, the …
and helminthes. Considering the cost and complexity of the treatment of these diseases, the …
Topological investigations of molecular interactions in binary ionic liquid mixtures with a common ion: Excess molar volumes, excess isentropic compressibilities …
The densities, ρ, speeds of sound, u, and molar heat capacities, CP, of 1-butyl-2, 3-
dimethylimidazolium tetrafluoroborate (i)+ 1-butyl-3-methylimidazolium tetrafluoroborate (j); …
dimethylimidazolium tetrafluoroborate (i)+ 1-butyl-3-methylimidazolium tetrafluoroborate (j); …
Thermodynamic properties of liquid mixtures containing cyclic amines and isomeric picolines: excess molar volumes and excess isentropic compressibilities and …
The present study reports densities, ρ, speeds of sound, u, molar heat capacities, CP of
binary piperidine or 1-methylpiperidine (1)+ 2-or 3-or 4-picolines (2) mixtures over entire …
binary piperidine or 1-methylpiperidine (1)+ 2-or 3-or 4-picolines (2) mixtures over entire …
Design of short peptides and peptide amphiphiles as collagen mimics and an investigation of their interactions with collagen using molecular dynamics simulations …
RM Heise, IA Banerjee - Journal of Molecular Modeling, 2023 - Springer
Short peptide sequences and bolaamphiphiles derived from natural proteins are gaining
importance due to their ability to form unique nanoscale architectures for a variety of …
importance due to their ability to form unique nanoscale architectures for a variety of …
Thermodynamic studies of molecular interactions in mixtures containing tetrahydropyran, 1, 4-dioxane, and cyclic ketones
The densities ρ, speeds of sound u, and molar heat capacities CP of tetrahydropyran or 1, 4-
dioxane (1)+ cyclohexanone or cycloheptanone (2) mixtures at 293.15, 298.15, 303.15, and …
dioxane (1)+ cyclohexanone or cycloheptanone (2) mixtures at 293.15, 298.15, 303.15, and …
Thermodynamic properties of piperidine and cyclic alkanone mixtures: excess molar volumes, excess isentropic compressibilities, excess molar enthalpies and …
S Malik, M Chandrasekhar, TS Krishna… - Journal of Thermal …, 2017 - Springer
The excess molar enthalpies, H^ E HE, of piperidine (1)+ cyclopentanone or cyclohexanone
or cycloheptanone (2) at 308.15 K and densities, ρ, speeds of sound, u, and molar heat …
or cycloheptanone (2) at 308.15 K and densities, ρ, speeds of sound, u, and molar heat …
Hydration of l-glycylvaline and l-glycylvalylglycine zwitterions: Structural and vibrational studies using DFT method
SJ Koyambo-Konzapa, Z Dhaouadi… - Journal of Molecular …, 2019 - Elsevier
Solvent effects on the structural and vibrational features of l-glycylvaline (L-GV) and l-
glycylvalylglycine (L-GVG) in zwitterionic forms have been performed by means of DFT …
glycylvalylglycine (L-GVG) in zwitterionic forms have been performed by means of DFT …
The removal of atrazine from water using specific polymeric adsorbent
M Kica, S Ronka - Separation Science and Technology, 2014 - Taylor & Francis
In order to obtain a specific polymer adsorbent for atrazine removal, the poly
(divinylbenzene) beads were synthesized in radical polymerization using suspension …
(divinylbenzene) beads were synthesized in radical polymerization using suspension …