✦ LIBER ✦

High level of ab initio and density functional theory computational study of structural and energetic properties of tetrafluorhydrazine rotamers

✍ Scribed by Branko S Jursic

Book ID: 114143006
Publisher: Elsevier Science
Year: 1998
Tongue: English
Weight: 94 KB
Volume: 434
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(98)00087-6

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structural, energetic and response elect

Structural, energetic and response electric properties of cyclic selenium clusters: an ab initio and density functional theory study

✍ Alparone, Andrea 📂 Article 📅 2012 🏛 Springer 🌐 English ⚖ 510 KB

Structural and electronic properties of

Structural and electronic properties of silver surfaces: ab initio pseudopotential density functional study

✍ Yun Wang; Wenning Wang; Kang-Nian Fan; Jingfa Deng 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 228 KB

High-level ab initio and density functio

High-level ab initio and density functional theory study of molecular complexes between aluminum cation and molecular nitrogen

✍ Branko S Jursic 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 85 KB

One- and three-parameter density functio

One- and three-parameter density functional theory and high level ab initio theory study of the CH+CH disproportionation reaction

✍ B.S. Jursic 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 148 KB

Ab initio and density functional theory

Ab initio and density functional theory study of the diazene isomerization

✍ Branko S. Jursic 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 384 KB

The HF, MP2, QCISD(T), G1, G2, and G2MP2 ab initio and twenty-two density functional theory (DFT) methods were used to perform the computational studies of the syn-and cis-diazene transformation into trans-diazene. In all calculations the Gaussian type 6-311 + G(2d,2p) basis set was used. The DFT co

High level ab initio and density functio

High level ab initio and density functional theory study of bond selective dissociation of CH3SH and CH3CH2SH radical cations

✍ Branko S. Jursic 📂 Article 📅 1998 🏛 Springer 🌐 English ⚖ 75 KB