Physisorption and ortho–para conversion of molecular hydrogen on solid surfaces

K Fukutani, T Sugimoto - Progress in surface science, 2013 - Elsevier
Molecular hydrogen exists in nuclear-spin isomers of ortho and para species according to
the total nuclear spin. These species are correlated to the rotational states with even and …

Density functional study on cage and noncage (Fe2O3) n clusters

XL Ding, W Xue, YP Ma, ZC Wang… - The Journal of Chemical …, 2009 - pubs.aip.org
Both cage and noncage structures of (Fe 2 O 3) n (⁠ n= 2–6 and 10) clusters are studied
using density functional theory. All the cage structures are stable without imaginary …

Hydrogen adsorption on two catalysts for the ortho-to parahydrogen conversion: Cr-doped silica and ferric oxide gel

M Hartl, RC Gillis, L Daemen, DP Olds… - Physical Chemistry …, 2016 - pubs.rsc.org
Molecular hydrogen exists in two spin-rotation coupled states: parahydrogen and
orthohydrogen. Due to the variation of energy with rotational level, the occupation of ortho …

Research progress on the catalytic conversion of ortho-to para-hydrogen

H ZHUO, Z ZHAO, Z SHEN, X YANG, Y HUANG - CIESC Journal, 2024 - hgxb.cip.com.cn
Hydrogen energy is an important renewable energy source with the advantages of high
energy density, high calorific value and environmental friendliness. The catalytic conversion …

[HTML][HTML] Etude de la conversion de spin nucléaire de l'eau en matrices de gaz rares: mesures, modélisation de l'influence des interactions spin-spin intermoléculaires …

C Pardanaud - 2007 - hal.science
Les molécules ayant des protons en position échangeable possèdent des isomères de spin
nucléaires différents. Leur interconversion, interdite à l'ordre zéro par la mécanique …

Rotational States of Adsorbed H2 on Fe(OH)3 Molecule

SE Amer, AK Sallabi - Journal of the Physical Society of Japan, 2020 - journals.jps.jp
Dispersion-corrected density functional (DFT-D3) and Quantum perturbation theories are
used to calculate the potential energy surface (PES), rotational states and energy rotational …

[PDF][PDF] Design and control of dynamical quantum processes in ortho-para H2 conversion on surfaces-From atomic-scale understanding to meter-scale application

R Muhida, R Muhida, WA Diño… - Proceedings of …, 2007 - researchgate.net
We present here a novel, cost-effective method for increasing and controlling the ortho-para
H2 (op H2) conversion yield. First, we invoke two processes derived from fundamental …

[PDF][PDF] Cédric PARDANAUD

PLAET L'ASTROPHYSIQUE - 2008 - researchgate.net
Les observations astrophysiques, basées sur les spectres infrarouges et radio des comètes
et du milieu interstellaire ont montré que ces milieux gazeux ne sont pas systématiquement …

[引用][C] The effect of physisorbed states on H2 nuclear spin conversion on metal surfaces

Y Kunisada - Physics of Surface, Interface and Cluster Catalysis, 2016 - IOP Publishing

[引用][C] Catalyst design for orho-para H2 conversion using ab initio-based computational material design (CMD)