✦ LIBER ✦

Investigation of the electrical properties of molecules in the presence of accidental degeneracy. Calculation of 1,3-diphenylallene in the CNDO approximation

✍ Scribed by S. G. Semenov; A. V. Tulub

Publisher: SP MAIK Nauka/Interperiodica
Year: 1986
Tongue: English
Weight: 218 KB
Volume: 26
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00754142

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of the electronic spectra of

Calculation of the electronic spectra of porphine molecules in the CNDO/S approximation

✍ V. A. Kuz'mitskii; K. N. Solov'ev 📂 Article 📅 1977 🏛 Springer US 🌐 English ⚖ 516 KB

Calculation of vertical excitation energ

Calculation of vertical excitation energies of closed-shell molecules in the CNDO and INDO approximations

✍ Christoph-Maria Liegener 📂 Article 📅 1980 🏛 Springer 🌐 English ⚖ 577 KB

Investigation of the photoreactive excit

Investigation of the photoreactive excited state of anthracene molecules in the presence of CCl4

✍ O. V. Butrimovich; V. V. Gurinovich; V. V. Gruzinskii 📂 Article 📅 1993 🏛 Springer US 🌐 English ⚖ 343 KB

Orthogonalized-plane-wave approximation

Orthogonalized-plane-wave approximation in the calculation of photoionization cross sections of molecules

✍ Takashi Fujikawa; Toshiaki Ohta; Haruo Kuroda 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 863 KB

The single-configuration approximation i

The single-configuration approximation in the calculation of the thermodynamic properties of microcrystalline clusters

✍ D.J. McGinty 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 353 KB

The single-configuratio approximation that has been used in previous calculations of the thermodynamic prop erties of microcrystalline clusters can lead to quite significant errors in calculated values of the thermodynamic functions. The origin of the errors and methods by wblch they can be minimize

Calculation of the partial phases in the

Calculation of the partial phases in the quasikinematic approximation of the theory of scattering of electrons by molecules

✍ V. S. Vinogradov; N. G. Rambidi 📂 Article 📅 1970 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 220 KB