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1.
Ab Initio Calculations of the Interaction Potential of the N2O-N2O Dimer: Strength of the Intermolecular Interactions and Physical Insights.
J Phys Chem A
; 127(30): 6175-6185, 2023 Aug 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-37478471
2.
Exploring the Adsorption Mechanism of N2O on Graphene: A DFT Study on Circum-Coronene for Catalysis, Sensing, and Energy Storage Applications.
J Phys Chem A
; 127(26): 5591-5601, 2023 Jul 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-37350188
3.
Adsorption of molecular hydrogen on Be3Al2(SiO3)6-beryl: theoretical insights for catalysis, hydrogen storage, gas separation, sensing, and environmental applications.
RSC Adv
; 14(6): 3782-3789, 2024 Jan 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38274172
4.
Exploring HCl-HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications.
RSC Adv
; 14(3): 1890-1901, 2024 Jan 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-38192328
5.
Exploring the adsorption behavior of molecular hydrogen on CHA-zeolite by comparing the performance of various force field methods.
RSC Adv
; 13(44): 30937-30950, 2023 Oct 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-37876651
6.
Recent advances in synthesis and characterization of iron-nickel bimetallic nanoparticles and their applications as photo-catalyst and fuel additive.
RSC Adv
; 13(42): 29632-29644, 2023 Oct 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-37822660
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