Results 181 to 190 of about 34,245 (281)

From the Modeling of Experiments to the Ab Initio Prediction of Rate Constants: Statistical Rate Theory for a Quantitative Understanding of Gas‐Phase Ion Chemistry

open access: yesChemPhysChem, Volume 27, Issue 8, 28 April 2026.
For directly comparing experimental results on gas‐phase ion reactions with the predictions from quantum chemical calculations, the latter must first be converted into rate constants. This review addresses the question of whether current methods of statistical rate theory can accomplish this task reliably. Statistical rate theory has long been used for
Thomas Auth, Konrad Koszinowski
wiley   +1 more source

Experimental Study of the Discharging Process of Sorption Heat Storage Units Filled with 13X Zeolite. [PDF]

open access: yesMaterials (Basel)
Pytlik B   +5 more
europepmc   +1 more source

Ethynylene‐Linked 1,2‐Dihydro‐1,2‐Azaborinines With High Energy Densities for Efficient Molecular Solar Thermal Energy Storage

open access: yesChemSusChem, Volume 19, Issue 8, 28 April 2026.
Molecular solar thermal energy storage (MOST) systems offer an approach to harnessing solar energy by converting, storing, and releasing it within chemical bonds. This study introduces ethynylene‐linked 1,2‐dihydro‐1,2‐azaborinines as highly promising candidates for MOST systems, exhibiting exceptional energy densities and extended storage times.
Ralf Einholz   +3 more
wiley   +1 more source

Multiple Dimerization Modes in Thiocarboxylate Paddlewheel Complexes: A Comprehensive View of Energy Landscapes from DFT Calculations and Statistics

open access: yesChemistry – A European Journal, Volume 32, Issue 15, 22 April 2026.
Staggered, square, and heavily bent dimers occur in the five known solvatomorphs of paddlewheel (PW) complex [PtVO(SOCPh)4]. These and other structural motifs are well within energetic reach due to the shallow potential energy surface that guides dimerization and are included in a revised classification of available structural data on heterobimetallic ...
Olga Mironova   +3 more
wiley   +1 more source

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