✦ LIBER ✦

Activation energies for permeation of He and H2 through silica membranes: An ab initio calculation study

✍ Scribed by P. Hacarlioglu; D. Lee; G.V. Gibbs; S.T. Oyama

Publisher: Elsevier Science
Year: 2008
Tongue: English
Weight: 594 KB
Volume: 313
Category: Article
ISSN: 0376-7388
DOI: 10.1016/j.memsci.2008.01.018

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations on intermolecular

Ab initio calculations on intermolecular forces. II. An analysis of potential energy curves for HE… HF, He… H2O, H2… HF and H2 … H2O at large and intermediate distances

✍ Hans Lishicka 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 914 KB

Rotational energy transfer and anisotrop

Rotational energy transfer and anisotropic intermolecular potentials : confrontation of experiment with ab-initio calculations for CO-H2 and CO-He

✍ A. Picard-Bersellini; R. Charneau; Ph. Brechignac 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 246 KB

Kinetic study for the unimolecular disso

Kinetic study for the unimolecular dissociation of CF3H: RRKM and PST calculations on an ab initio potential energy surface

✍ Dong Nam Shin; Yong Sim Yoo; Chul Woong Park; Jae Won Hahn; Kihyung Song 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 490 KB

Unimolecular dissociations of CFaH into (1) CF2(1AI ) + HF, (2) CF 3 + H and (3) CF2H + F were studied by means of RRKM and PST calculations on an ab initio potential energy surface. Activation energies for the three channels (1), ( 2) and (3) are 73.95, 108.20 and 130.02 kcal/mol at G2 level, respe

Potential energy surfaces for the molecu

Potential energy surfaces for the molecular and free radical dissociations of H2CS, F2CS and Cl2CS: An ab initio SCF MO study

✍ B. Simard; A.E. Bruno; P.G. Mezey; R.P. Steer 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 814 KB

Resonance Raman study of Franck-Condon e

Resonance Raman study of Franck-Condon effects in the C10H8+ radical. Ab initio MCSCF calculations for the low-energy 2B2g and 2B3g symmetry states

✍ Tadeusz Andruniow; Krzysztof Zborowski; Marek Pawlikowski 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 386 KB