✦ LIBER ✦

Ground states of molecules. 45. MNDO results for molecules containing beryllium

✍ Scribed by Dewar, Michael J. S.; Rzepa, Henry S.

Book ID: 120578980
Publisher: American Chemical Society
Year: 1978
Tongue: English
Weight: 914 KB
Volume: 100
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00471a020

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ground states of molecules. 41. MNDO res

Ground states of molecules. 41. MNDO results for molecules containing boron

✍ Dewar, Michael J. S.; McKee, Michael L. 📂 Article 📅 1977 🏛 American Chemical Society 🌐 English ⚖ 958 KB

Ground states of molecules. 53.MNDO calc

Ground states of molecules. 53.MNDO calculations for molecules containing chlorine

✍ Michael J. S. Dewar; Henry S. Rzepa 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 693 KB

Ground states of molecules. 64.MNDO Calc

Ground states of molecules. 64.MNDO Calculations for compounds containing bromine

✍ Michael J. S. Dewar; Eamonn Healy 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 442 KB

MNDO has been parametrized for bromine. Since d atomic orbitals (AOs) are not included, the calculations are restricted to Br'. Heats of formation, molecular geometries, ionization energies, and dipole moments are reproduced with useful accuracy.

Ground states of molecules. 67.MNDO Calc

Ground states of molecules. 67.MNDO Calculations for compounds containing iodine

✍ Michael J. S. Dewar; Eamonn F. Healy; James J. P. Stewart 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 284 KB

MNDO has been parametrized for iodine. Since d atomic orbitals (AOS) are not included, the calculations are restricted to 1'. Heats of formation, molecular geometries, ionization energies, and dipole moments are reproduced with useful accuracy.

Ground states of molecules. 73. MNDO cal

Ground states of molecules. 73. MNDO calculations for compounds containing germanium

✍ Dewar, Michael J. S.; Grady, Gilbert L.; Healy, Eamonn F. 📂 Article 📅 1987 🏛 American Chemical Society 🌐 English ⚖ 556 KB

MNDO and MNDO/D dipole polarizability of

MNDO and MNDO/D dipole polarizability of molecules in the ground state

✍ Asit K. Chandra; M. Banerjee 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 403 KB