[HTML][HTML] Partitioning characteristics of indoor VOCs on impermeable surfaces covered by film-phase DnBP and DEHP

Z Chen, Q Chen, Y Xu, J Mo - Journal of Hazardous Materials Advances, 2022 - Elsevier
PAEs usually adsorb on indoor surfaces to form organic films, which could be more
hazardous after enriching VOCs. Two typical PAEs, DnBP and DEHP, in the film phase …

A theoretical investigation on Cu/Ag/Au bonding in XH2P⋯ MY (X= H, CH3, F, CN, NO2; M= Cu, Ag, Au; Y= F, Cl, Br, I) complexes

Z Wang, Y Liu, B Zheng, F Zhou, Y Jiao, Y Liu… - The Journal of …, 2018 - pubs.aip.org
Intermolecular interaction of XH 2 P··· MY (X= H, CH 3, F, CN, NO 2; M= Cu, Ag, Au; Y= F, Cl,
Br, I) complexes was investigated by means of an ab initio method. The molecular …

Molecular dynamics study of the thermodynamic properties of triglyceride/methanol mixtures in the presence of cosolvent

M Nyepetsi, OA Oyetunji, F Mbaiwa - Journal of Molecular Liquids, 2024 - Elsevier
Biodiesel is a renewable source of energy that has the potential to replace fossil fuel-based
resources. It is produced via the transesterification reaction in which a triglyceride reacts with …

Regium bonds formed by MX (M═ Cu, Ag, Au; X═ F, Cl, Br) with phosphine-oxide/phosphinous acid: comparisons between oxygen-shared and phosphine-shared …

B Zheng, Y Liu, Z Wang, F Zhou, Y Liu, XL Ding… - Molecular …, 2019 - Taylor & Francis
Regium bonds interaction between phosphine oxide (H3PO), the trans phosphinuous acid
(T-PH2OH), the cis phosphinuous acid (C-PH2OH) and MX (M═ Cu, Ag, Au; X═ F, Cl, Br) …

Dynamics of Formamide–Water Mixtures Investigated by Linear and Nonlinear Infrared Spectroscopy

Y Bai, J He, Y Gao, M Zhang, D Zhou… - The Journal of …, 2024 - ACS Publications
Formamide (FA) exhibits complete miscibility with water, offering a simplified model for
exploring the solvation dynamics of peptide linkages in biophysical processes. Its liquid …

Structure of the hydrogen-bond network in binary mixtures of formamide and methanol

A Ozkanlar - Journal of Solution Chemistry, 2021 - Springer
Molecular dynamics simulations in conjunction with a number of network analysis
techniques have been carried out to explore the structure of the hydrogen-bond (H-bond) …

Intermolecular interaction network in liquid acetone

A Ozkanlar - Fluid Phase Equilibria, 2022 - Elsevier
Molecular dynamics simulations, employing the transferable potentials for phase equilibria-
united atom force field, have been performed to explore the structural features of liquid …

Intermolecular interactions in binary mixtures of formamide and acetone

A Ozkanlar - Fluid Phase Equilibria, 2022 - Elsevier
Trajectories from molecular dynamics simulations of binary mixtures of formamide (FA) and
acetone (AT) have been analyzed across the entire concentration range by means of …