✦ LIBER ✦

Alternant Molecular Orbitals In Butadiene

✍ Scribed by B. LASKOWSKI; P. VAN Leuven

Book ID: 101761383
Publisher: Wiley (John Wiley & Sons)
Year: 2010
Weight: 327 KB
Volume: 80
Category: Article
ISSN: 0037-9646
DOI: 10.1002/bscb.19710800512

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📜 SIMILAR VOLUMES

Equation for the energy of alternant mol

Equation for the energy of alternant molecular orbitals for alternant molecules with heteroatoms

✍ N. N. Tyutyulkov; I. I. Petkov; I. P. Bangov 📂 Article 📅 1976 🏛 Springer 🌐 English ⚖ 168 KB

Graph theory and molecular orbitals. Tot

Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons

✍ I. Gutman; N. Trinajstić 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 284 KB

The dependence of the Hiickal total n-electron energy on the molecular topology is shown. ckneid ruks governing the structural dependence of the n-electron energy in conjugated molecules are derived.

Alternant Molecular Orbital Method

✍ KWO, W. T. 📂 Article 📅 1964 🏛 Nature Publishing Group 🌐 English ⚖ 112 KB

On the use of localized orbitals and res

On the use of localized orbitals and restricted alternant orbitals in chemical systems

✍ Daniel Peeters; Georges Leroy 📂 Article 📅 1978 🏛 Springer 🌐 English ⚖ 477 KB

A generalized formula for the energies o

A generalized formula for the energies of alternant molecular orbitals. II. Heteronuclear molecules

✍ N. N. Tyutyulkov 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 444 KB

A generalized formula for the energies o

A generalized formula for the energies of alternant molecular orbitals. I. Homonuclear molecules

✍ N. N. Tyutyulkov 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 260 KB

## Abstract Using the method of alternant molecular orbitals (AMO) it is shown that the energies of AMO's (__E__~__k__~), for any alternant homonuclear molecule having a singlet ground state, are connected with the energies of the MO's (__e__~__k__~) obtained by the conventional Hartree–Fock (HF) m