✦ LIBER ✦

Semiempirical calculation of the chemical shifts for the C13nucleus by the LCAO MO method

✍ Scribed by V. N. Solkan; V. Yu. Klimenko; Yu. A. Ustynyuk

Book ID: 112363659
Publisher: Springer
Year: 1975
Tongue: English
Weight: 232 KB
Volume: 9
Category: Article
ISSN: 0040-5760
DOI: 10.1007/bf00526327

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Semiempirical Methods for the Calculatio

Semiempirical Methods for the Calculation of NMR Chemical Shifts

✍ Thomas Heine; Gotthard Seifert 📂 Article 📅 2005 🏛 John Wiley and Sons ⚖ 8 KB 👁 2 views

Calculation of the tetraphenylcyclobutad

Calculation of the tetraphenylcyclobutadiene molecule by the MO LCAO method

✍ D. A. Bonchar; É. S. Bogatova; A. L. Chistyakov 📂 Article 📅 1960 🏛 Springer 🌐 English ⚖ 82 KB

A program for calculating electron densi

A program for calculating electron density by the MO LCAO method

✍ M. M. Mestechkin; V. N. Poltavets 📂 Article 📅 1970 🏛 Springer 🌐 English ⚖ 191 KB

Semiempirical calculations of ESCA chemi

Semiempirical calculations of ESCA chemical shifts by the SCC-AMEP model

✍ Z.B. Maksic; K. Rupnik 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 360 KB

Comparisons of the theoretical calculati

Comparisons of the theoretical calculation of nitrogen clusters by semiempirical MO method

✍ Cheng Chen; Kuang-Chung Sun 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 628 KB

Various nitrogen clusters, N,, are selected for the present theoretical study. The number of nitrogen atoms chosen in this work varies from x = 8 to x = 32. PM3, which is known as one of the best semiempirical methods, is selected for the self-consistent molecular orbital calculations. The geometric

Calculation of F2and Cl2molecules using

Calculation of F2and Cl2molecules using the self-consistent MO LCAO method

✍ V. M. Surazhskii; N. M. Klimenko; M. E. Dyatkina 📂 Article 📅 1970 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 117 KB