✦ LIBER ✦

Ab Initio Calculations of H2O → OH + H

✍ Scribed by S. A. Alexander; F. A. Matsen

Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 237 KB
Volume: 22
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560220842

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations of the equilibriu

Ab initio calculations of the equilibrium constants of the gas-phase reactions C2H2 + OH− [rlhar2] C2H- + H2O and Li + H2O [rlhar2] LiOH + H

✍ Petr Čársky; Rudolf Zahradník; Ivan Kozák 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 354 KB

results of zb initio &culations for the two title reactions me reported. Temperature dependenrrs of cqniti& rium constants were obtained by a standard statistical-thermodynamic treatment for which all necessary molecular tortstants were generated by the ab initio SCF calculations of double zeta qual

AB initio studies of chemical equilibria

AB initio studies of chemical equilibria. III. SCF and CEPA calculations of the equilibrium constants of the reactions C2H2 + OH− ⇌C2H− + H2O and Li + H2O⇌LiOH + H

✍ Lischka Hans; Čarsky Petr; Zahradník Rudolf 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 662 KB

AB initio calculations of the OHH2 pote

AB initio calculations of the OHH2 potential energy surface

✍ E. Kochanski; D.R. Flower 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 688 KB

Ab-initio calculation of resonance state

Ab-initio calculation of resonance states of H2O

✍ Hiroaki Iwaki; Takeshi Noro; Kimio Ohno 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 414 KB

Ab initio molecular orbital calculations

Ab initio molecular orbital calculations on hydrogen bonding in binary water-alcohol mixtures: (CH3OH)2(H2O), (CH3OH) (H2O)2, and (CF3CH2OH)(H2O)

✍ L. A. Curtiss; D. J. Frurip 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 430 KB

Ab initio MO calculations on the electro

Ab initio MO calculations on the electronics structures of H2S+ and H2O+

✍ H. Sakai; S. Yamabe; T. Yamabe; K. Fukui; H. Kato 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 537 KB