Ground State Conformational Preferences and CH Stretch–Bend Coupling in a Model Alkoxy Chain: 1, 2-Diphenoxyethane
EG Buchanan, EL Sibert III… - The Journal of Physical …, 2013 - ACS Publications
1, 2-Diphenoxyethane (C6H5–O–CH2–CH2–O–C6H5, DPOE) is a flexible bichromophore
in which the two phenyl rings are separated from one another by an− O–CH2–CH2–O …
in which the two phenyl rings are separated from one another by an− O–CH2–CH2–O …
Mesoscopic simulation studies on the formation mechanism of drug loaded polymeric micelles
In this work, the formation of polymeric micelles as drug delivery vehicles in an aqueous
environment is investigated by dissipative particle dynamics (DPD) simulations. Doxorubicin …
environment is investigated by dissipative particle dynamics (DPD) simulations. Doxorubicin …
Revealing the origin of the specificity of calcium and sodium cations binding to adsorption monolayers of two anionic surfactants
F Mustan, A Ivanova, S Tcholakova… - The Journal of Physical …, 2020 - ACS Publications
The studied anionic surfactants linear alkyl benzene sulfonate (LAS) and sodium lauryl ether
sulfate (SLES) are widely used key ingredients in many home and personal care products …
sulfate (SLES) are widely used key ingredients in many home and personal care products …
Estimation of the Mutual Orientation and Intermolecular Interaction of C12Ex from Molecular Dynamics Simulations
M Velinova, Y Tsoneva, A Ivanova… - The Journal of Physical …, 2012 - ACS Publications
Nonionic surfactants, such as poly (ethylene glycol) alkyl ethers (abbreviated as C y E x)
show a rich phase behavior in aqueous solution, ie, they form micellar, lamellar, cubic, and …
show a rich phase behavior in aqueous solution, ie, they form micellar, lamellar, cubic, and …
Thermodynamic Analysis of a Brown Glass Containing Fe, C and S
CS Hu, J Zhang, HF Yan, JX He - Advanced Materials Research, 2012 - Trans Tech Publ
The ground state geometrical of cyclic sulfur molecules S8 has been studied with RHF/6-
311G* of ab initio methods. Gibbs free energy of CO, SO2, S8 and CO2 from 300 to 1673K …
311G* of ab initio methods. Gibbs free energy of CO, SO2, S8 and CO2 from 300 to 1673K …