✦ LIBER ✦

Examination of reaction of tetrazole formation from nitriles and azides within the framework of frontier molecular orbital theory

✍ Scribed by N. N. Vainberg; M. M. Krayushkin; V. M. Zhulin

Book ID: 112442637
Publisher: Springer
Year: 1984
Tongue: English
Weight: 266 KB
Volume: 33
Category: Article
ISSN: 1573-9171
DOI: 10.1007/bf00948630

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A re-examination of the heat of formatio

A re-examination of the heat of formation of HO 2 using ab initio molecular orbital theory

✍ Francisco, J.S.; Zhao, Y. 📂 Article 📅 1991 🏛 Taylor and Francis Group 🌐 English ⚖ 149 KB

Accurate Heats of Formation of the “Ardu

Accurate Heats of Formation of the “Arduengo-Type” Carbene and Various Adducts Including H 2 from ab Initio Molecular Orbital Theory

✍ Dixon, David A.; Arduengo, Anthony J. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 87 KB

Solvent effects resulting from frontier

Solvent effects resulting from frontier molecular-orbital interactions. Part 2. The Diels?Alder reaction between 5-substituted 1,4-naphthoquinones and 2,3-dimethylbutadiene

✍ Desimoni, Giovanni; Faita, Giuseppe; Righetti, Pierpaolo; Tornaletti, Nicola; Vi 📂 Article 📅 1989 🏛 Royal Society of Chemistry 🌐 English ⚖ 495 KB

Gas-phase rate coefficients for the reac

Gas-phase rate coefficients for the reactions of O(3P), S(3P), Se(3P), and Te(3P) with alkenes: Application of perturbation frontier molecular orbital theory, correlations, and structure–activity relations (SARs)

✍ Christian Pfrang; Martin D. King; Carlos E. Canosa-Mas; Richard P. Wayne 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 158 KB

## Abstract The kinetics of the reactions of the atoms O(^3^P), S(^3^P), Se(^3^P), and Te(^3^P) with a series of alkenes are examined for correlations relating the logarithms of the rate coefficients to the energies of the highest occupied molecular orbitals (HOMOs) of the alkenes. These correlatio

Enthalpies of Formation of Gas-Phase N3,

Enthalpies of Formation of Gas-Phase N3, N-3, N+5, and N-5 from ab initio Molecular Orbital Theory, Stability Predictions for N+5N-3 and N+5N-5, and Experimental Evidence for the Instability of N+5N-3.

✍ David A. Dixon; David Feller; Karl O. Christe; William W. Wilson; Ashwani Vij; V 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 57 KB 👁 1 views

Enthalpies of Formation of Gas-Phase N 3

Enthalpies of Formation of Gas-Phase N 3 , N 3- , N 5+ , and N 5- from Ab Initio Molecular Orbital Theory, Stability Predictions for N 5+ N 3- and N 5+ N 5- , and Experimental Evidence for the Instability of N 5+ N 3-

✍ Dixon, David A.; Feller, David; Christe, Karl O.; Wilson, William W.; Vij, Ashwa 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 148 KB