𝔖 Bobbio Scriptorium

✦ LIBER ✦

FCPAC: Fast calculation of partial atomic charges using strictly localized molecular orbitals

✍ Scribed by Marc Swinnen; Annick Thomas; Robert Brasseur

Book ID: 117626789
Publisher: Elsevier Science
Year: 2002
Tongue: English
Weight: 100 KB
Volume: 25
Category: Article
ISSN: 0927-0256
DOI: 10.1016/s0927-0256(02)00339-7

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On the use of spatial symmetry in ab ini

On the use of spatial symmetry in ab initio calculations. Transformation of the two-electron integrals from atomic orbital to localized molecular orbital basis

✍ Ede Kapuy; Cornelia Kozmutza 📂 Article 📅 1993 🏛 Springer 🌐 English ⚖ 450 KB