✦ LIBER ✦

Structure and Vibrational Spectra of the Azabenzenes. A Density Functional Study Including Exact Exchange Contributions

✍ Scribed by Martin, Jan M. L.; Van Alsenoy, C.

Book ID: 121429017
Publisher: American Chemical Society
Year: 1996
Tongue: English
Weight: 263 KB
Volume: 100
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp953168t

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

ChemInform Abstract: Structure and Vibra

ChemInform Abstract: Structure and Vibrational Spectra of the Azabenzenes. A Density Functional Study Including Exact Exchange Contributions.

✍ J. M. L. MARTIN; C. VAN ALSENOY 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 25 KB

Structure and vibrational spectra of car

Structure and vibrational spectra of carbon clusters Cn (n = 2–10, 12, 14, 16, 18) using density functional theory including exact exchange contributions

✍ Jan M.L. Martin; Jamal El-Yazal; Jean-Pierre François 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 914 KB

Geometries and harmonic frequencies of linear C, and cyclic C2,, (n = 2-9) clusters have been studied using the B3LYP (Be&e 3-parameter-Lee-Yang-Parr) density functional method and compared with ab initio coupled cluster calculations. For Ca through Clo, results are of nearly the same quality as th

Molecular structure and vibrational spec

Molecular structure and vibrational spectra of Irinotecan: A density functional theoretical study

✍ P. Chinna Babu; N. Sundaraganesan; S. Sudha; V. Aroulmoji; E. Murano 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 492 KB

The vibrational spectra of corannulene a

The vibrational spectra of corannulene and coronene. A density functional study

✍ Jan M.L. Martin 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 513 KB

Isomers of Manganese Tetracarbonyl Hydri

Isomers of Manganese Tetracarbonyl Hydride: A Density Functional Study of Structure and Vibrational Spectra

✍ Frigyes, Dávid; Fogarasi, Géza 📂 Article 📅 1999 🏛 American Chemical Society 🌐 English ⚖ 79 KB

A Density Functional Theory Study of the

A Density Functional Theory Study of the Structure and Vibrational Spectra of β-Carotene, Capsanthin, and Capsorubin

✍ Requena, A.; Cerón-Carrasco, J. P.; Bastida, A.; Zúñiga, J.; Miguel, B. 📂 Article 📅 2008 🏛 American Chemical Society 🌐 English ⚖ 595 KB