✦ LIBER ✦

Structural properties and vibrational spectra of Al2H2 clusters as evaluated with density functional theory methods

✍ Scribed by Branko S Jursic

Book ID: 114143106
Publisher: Elsevier Science
Year: 1998
Tongue: English
Weight: 99 KB
Volume: 453
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(98)00192-4

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structural, energetic, and vibrational f

Structural, energetic, and vibrational features of azacubanes as energetic materials studied with density functional theory methods

✍ B.S Jursic 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 158 KB

Analysis of structure and vibrational sp

Analysis of structure and vibrational spectra of 2,5-dihydroxybenzoicacid based on density functional theory calculations

✍ V. Krishnakumar; N. Surumbarkuzhali 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 205 KB 👁 1 views

Molecular structure and vibrational spec

Molecular structure and vibrational spectra of 3-and 4-amino-2-bromopyridine by density functional methods

✍ M. Kandasamy; G. Velraj 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 995 KB

Density Functional Theory Study of the S

Density Functional Theory Study of the Structures and Properties of (H2AlN3)n (n = 1—4) Clusters.

✍ Qi Ying Xia; He Ming Xiao; Xue Hai Ju; Xue Dong Gong 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 50 KB 👁 2 views

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

Studies on the molecular structures, vib

Studies on the molecular structures, vibrational spectra and thermodynamic properties of organic nitrates using density functional theory and ab initio methods

✍ X.D. Gong; H.M. Xiao 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 108 KB