Results 191 to 200 of about 2,058,598 (234)

ReDD-COFFEE under the Lens: Revealing Adsorption and Separation Performances of Hypothetical COFs Using Molecular Simulations and Machine Learning. [PDF]

Ind Eng Chem Res
Ozyurt H, Aksu GO, Gulbalkan HC, Keskin S.   +3 more
europepmc   +1 more source

Pick-Up of Organic Molecules by Mixed Ar Clusters: A Function of Gas Properties and Composition. [PDF]

Molecules
Ekar J, Plekan O.
europepmc   +1 more source

Physics-encoded machine learning for performance and emission prediction of nickel ferrite nanocatalyst and hydrogen-enriched biodiesel in diesel engines. [PDF]

RSC Adv
Van Minh N, Jayabal R, Leo G M L, S S, L K, Joseph R, P J, Sivanraju R.   +7 more
europepmc   +1 more source

Inflamed vessel-anchored release of H₂ across the blood-brain barrier for ischemic stroke neuroprotection. [PDF]

Sci Adv
Yu Y, Fan M, Wu G, Li Y, Xia C, Ding W, Li G, He Q, Tang W, Liu C.   +9 more
europepmc   +1 more source

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Short-Range Intermolecular Forces. II. H2–H2 and H2–H

The Journal of Chemical Physics, 1957
The energy of interaction between two hydrogen molecules and between a hydrogen atom and a hydrogen molecule are calculated using a new method1 for approximating the 3- and 4-center integrals. The results are in good agreement with previous calculations of Margenau and with existing experimental data.
Edward A. Mason, Joseph O. Hirschfelder
openaire   +2 more sources

Interaction Energies for the H–H2 and H2–H2 System

The Journal of Chemical Physics, 1960
Interaction energies for the H–H2 and H2–H2 systems have been obtained by a semiempirical perfectpairing procedure used previously. The results have been compared with interaction energies obtained from other sources and the agreement among the different curves is reasonably good.
Joseph T. Vanderslice, Edward A. Mason
openaire   +1 more source

vibration—vibration energy transfer in hydrogen molecules: H2(1) + H2(1) → H2(2) + H2(0)

Chemical Physics Letters, 1979
Abstract The effect of molecular rotation and temperature dependence of energy transfer probabilities of the vibration—vibration process H2(1) + H2(1) → H2(2) + H2 (0) have been investigated using a semi-empirical potential in the probability expression obtained from an approximate solution of the time dependent wave equation.
H.K. Shin, P.L. Altick
openaire   +1 more source