✦ LIBER ✦

Using ab Initio MO Calculations To Understand the Photodissociation Dynamics of CH 2 CCH 2 and CH 2 C 2

✍ Scribed by Jackson, W. M.; Mebel, A. M.; Lin, S. H.; Lee, Y. T.

Book ID: 121445833
Publisher: American Chemical Society
Year: 1997
Tongue: English
Weight: 214 KB
Volume: 101
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp970597d

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The electronic structure of the CH2CCH r

The electronic structure of the CH2CCH radical - an AB initio SCF-MO study

✍ Alan Hinchliffe 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 245 KB

Direct ab initio dynamics calculations o

Direct ab initio dynamics calculations of thermal rate constants for the CH4 + O2 = CH3 + HO2 reaction

✍ Mai, Tam V.-T.; Duong, Minh v.; Le, Xuan T.; Huynh, Lam K.; Ratkiewicz, Artur 📂 Article 📅 2014 🏛 Springer 🌐 English ⚖ 820 KB

Simplified methods for ab initio calcula

Simplified methods for ab initio calculations. The valence states of CH2 and CH

✍ D. Gervy; G. Verhaegen 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 847 KB

The conformational equilibrium of CH3CH2

The conformational equilibrium of CH3CH2CH2NH3+: Raman study in solution and ab initio calculations

✍ Hans Hagemann; Hans Bill; Jiri Mareda 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 560 KB

Ab Initio Calculations of the Rotational

Ab Initio Calculations of the Rotational Barriers in H2Te2 and (CH3)2Te2

✍ Joseph J. BelBruno 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 139 KB 👁 2 views

The heights of the rotational barriers of the ditelluride bridge in H 2 Te 2 and (CH 3 ) 2 Te 2 have been calculated at the Hartree-Fock level with the 3-21G basis set. The minima in the rotational potential energy functions occur at torsional angles of 87.58Њ and 89.32Њ, respectively. The barriers

Ab Initio Calculations of the Barriers t

Ab Initio Calculations of the Barriers to Internal Rotation of CH3CH3, CH3NH2, CH3OH, N2H4, H2O2, and NH2OH

✍ Pedersen, L. 📂 Article 📅 1967 🏛 American Institute of Physics 🌐 English ⚖ 749 KB