✦ LIBER ✦

Ab initio calculations on large molecules using molecular fragments. Characterization of unsaturated sulfur-containing molecules

✍ Scribed by Nitzsche, L. E.; Christoffersen, Ralph E.

Book ID: 126029537
Publisher: American Chemical Society
Year: 1974
Tongue: English
Weight: 761 KB
Volume: 96
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00826a006

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations on large molecule

Ab initio calculations on large molecules using molecular fragments. Preliminary investigations

✍ Ralph E. Christoffersen; Gerald M. Maggiora 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 475 KB

Ab initio calculations on large molecule

Ab initio calculations on large molecules using molecular fragments characterization of anthracene and phenanthrene

✍ Ralph E. Christoffersen 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 490 KB

Ab initio calculations on large molecule

Ab initio calculations on large molecules using molecular fragments. Electronic and geometric characterization of acetylcholine

✍ Genson, Donald W.; Christoffersen, Ralph E. 📂 Article 📅 1973 🏛 American Chemical Society 🌐 English ⚖ 829 KB

Ab initio calculations on large molecule

Ab initio calculations on large molecules using molecular fragments. Initial P-matrices for scf calculations

✍ Lester L. Shipman; Ralph E. Christoffersen 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 383 KB

Ab initio calculations on large molecule

Ab initio calculations on large molecules using molecular fragments. Preliminary investigation of ethyl chlorophyllide a and related molecules

✍ Dale Spangler; Ross McKinney; Ralph E. Christoffersen; Gerald M. Maggiora; Leste 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 389 KB

Ab initio calculations on large molecule

Ab initio calculations on large molecules using molecular fragments. Initial studies on open shell systems

✍ Timothy D. Davis; Ralph E. Christoffersen; Gerald M. Maggiora 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 410 KB

An ab initio procedure, designed for investigation of large molecules and based upon studies of molecular frag ments, is extended to open shell systems u,sing the unresticted Hartree-Fock method. Investigated initially are the ethyl and vinyl radicals, and the ethylene triplet state.