Results 31 to 40 of about 165,932,823 (169)

Molecular and ionic sublimation of DyBr3 and TmBr3. A summary of thermochemical properties of the vapor species for thermally stable lanthanide tribromides [PDF]

, 2022
New experimental results on DyBr3 and TmBr3 are presented, which complete our systematic studies of molecular and ionic sublimation of lanthanide tribromides LnBr3 by Knudsen effusion mass spectrometry. Similar to other thermally stable LnBr3 (Ln = La–Lu
Kudin, L.S., Motalov, V.B., Dunaev, A.M., Butman, M.F., Krämer, K. W.   +4 more
core   +2 more sources

Extremal hyper-Zagreb index of trees of given segments with applications to regression modeling in QSPR studies

Alexandria Engineering Journal, 2023
Introduced by Gutman & Trinajstić in 1972, the two well-known Zagreb indices efficiently determine the total π-electron energy of alternant hydrocarbons. The hyper-Zagreb index is a variant of the classical first Zagreb index.
Sakander Hayat, Muhammad Adil Khan, Asad Khan, Haziq Jamil, Muhammad Yasir Hayat Malik   +4 more
doaj   +1 more source

Experimental and Theoretical Study of the Enthalpy of Formation of 3,6-Diphenyl-1,2,4,5-Tetroxane Molecule

The Scientific World Journal, 2002
We report the results obtained for the experimental determination and the theoretical calculation of the enthalpy of formation of 3,6-diphenyl-1,2,4,5-tetroxane molecule.
N.L. Jorge, L.C.A. Leiva, M.G. Castellanos, M.E. Gomez Vara, L.F.R. Cafferata, E.A. Castro   +5 more
doaj   +1 more source

Estimating fusion properties for functionalised acids [PDF]

Atmospheric Chemistry and Physics, 2011
Multicomponent organic aerosol (OA) is likely to be liquid, or partially liquid. Hence, to describe the partitioning of these components, their liquid vapour pressure is desired. Functionalised acids (e.g. diacids) can be a significant part of OA.
S. Compernolle, K. Ceulemans, J.-F. Müller   +2 more
doaj   +1 more source

Surface Persistence of Trace Level Deposits of Highly Energetic Materials

Molecules, 2019
In the fields of Security and Defense, explosive traces must be analyzed at the sites of the terrorist events. The persistence on surfaces of these traces depends on the sublimation processes and the interactions with the surfaces.
Leonardo C. Pacheco-Londoño, José L. Ruiz-Caballero, Michael L. Ramírez-Cedeño, Ricardo Infante-Castillo, Nataly J. Gálan-Freyle, Samuel P. Hernández-Rivera   +5 more
doaj   +1 more source

Computational Study of Selected Amine and Lactam N-Oxides Including Comparisons of N-O Bond Dissociation Enthalpies with Those of Pyridine N-Oxides

Molecules, 2020
A computational study of the structures and energetics of amine N-oxides, including pyridine N-oxides, trimethylamine N-oxide, bridgehead bicyclic amine N-oxides, and lactam N-oxides, allowed comparisons with published experimental data.
Arthur Greenberg, Alexa R. Green, Joel F. Liebman   +2 more
doaj   +1 more source

Structural and Energetic Insights on Two Dye Compounds: 1-Acetyl-2-Naphthol and 2-Acetyl-1-Naphthol

Molecules, 2020
The energy involved in the structural switching of acyl and hydroxyl substituents in the title compounds was evaluated combining experimental and computational studies.
Vera L. S. Freitas, Maria D. M. C. Ribeiro da Silva   +1 more
doaj   +1 more source

Formation Thermodynamics of Carbamazepine with Benzamide, Para-Hydroxybenzamide and Isonicotinamide Cocrystals: Experimental and Theoretical Study

Pharmaceutics, 2022
Formation thermodynamic parameters for three cocrystals of carbamazepine (CBZ) with structurally related coformers (benzamide (BZA), para-hydroxybenzamide (4-OH-BZA) and isonicotinamide (INAM)) were determined by experimental (cocrystal solubility and ...
Alex N. Manin, Denis E. Boycov, Olga R. Simonova, Tatyana V. Volkova, Andrei V. Churakov, German L. Perlovich   +5 more
doaj   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

Prediction of Crystal Lattice Energy Using Enthalpy of Sublimation: A Group Contribution-Based Model

, 2016
In this study, a new group contribution-based model is presented to predict the enthalpy of sublimation of pure compounds. This model can also be used to predict the lattice crystal energy of such compounds. The model is a neural network using the number
Farhad Gharagheizi (1264443), Mehdi Sattari (1913500), Behnam Tirandazi (2106466)   +2 more
core   +2 more sources