✦ LIBER ✦

Accurate calculations of dissociation energies of weakly bonded He2and Be2molecules by MRCI method

✍ Scribed by A. V. Mitin

Book ID: 110185202
Publisher: International Academic Publishing Co (Nauka/Interperiodica)
Year: 2010
Tongue: English
Weight: 141 KB
Volume: 84
Category: Article
ISSN: 0036-0244
DOI: 10.1134/s0036024410130182

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

IMOMO-G2MS Approaches to Accurate Calcul

IMOMO-G2MS Approaches to Accurate Calculations of Bond Dissociation Energies of Large Molecules

✍ Froese, Robert D. J.; Morokuma, Keiji 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 75 KB

Performance of multi-reference CI method

Performance of multi-reference CI method in calculations of weakly bonded Sr2and Ba2molecules

✍ A. V. Mitin 📂 Article 📅 2009 🏛 International Academic Publishing Co (Nauka/Interp 🌐 English ⚖ 146 KB

Calculation of bond dissociation energie

Calculation of bond dissociation energies for oxygen containing molecules by ab initio and density functional theory methods

✍ Branko S. Jursic; Robin M. Martin 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 475 KB 👁 2 views

Two ab initio (ROHF and MPZ), one local (SVWN), four hybrid (BHandH, BHandHLYP, Becke3LYP, and Becke3P86), and two nonlocal (BLYP and BP86) density functional theory (DFT) methods are used for calculating the dissociation energies of molecules that contain H-0, 0-0 and 0-C bonds. The sensitivity to

Use of electrostatic method for calculat

Use of electrostatic method for calculating the bond energy of H2+, H2, and Li2molecules and the force constant of H2and Li2molecules

✍ V. V. Rossikhin; V. P. Morozov 📂 Article 📅 1966 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 193 KB

Bond dissociation energies of the 1-and-

Bond dissociation energies of the 1-and-2-isomers of pentaborane derivatives by electron impact and by extended hückel calculations

✍ C.B. Murphy Jr.; R. Enrione 📂 Article 📅 1971 🏛 Elsevier Science ⚖ 685 KB

Accurate Calculations of Binding, Foldin

Accurate Calculations of Binding, Folding, and Transfer Free Energies by a Scaled Generalized Born Method

✍ Tjong, Harianto; Zhou, Huan-Xiang 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 920 KB