✦ LIBER ✦

Complete basis set ab initio exploring potential energy surface for triplet oxygen reaction with ethylene

✍ Scribed by B.S. Jursic

Book ID: 114143678
Publisher: Elsevier Science
Year: 1999
Tongue: English
Weight: 290 KB
Volume: 492
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(99)00123-2

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Complete basis set ab initio computation

Complete basis set ab initio computational study of triplet oxygen atom reaction with ethane

✍ B.S. Jursic 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 145 KB

Potential energy surface for H2Si2 isome

Potential energy surface for H2Si2 isomer explored with complete basis set ab initio method

✍ Branko S. Jursic 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 178 KB

Complete basis set and gaussian ab initi

Complete basis set and gaussian ab initio exploration of singlet and triplet potential energy surface for molecular systems built from one hydrogen, oxygen and nitrogen atoms

✍ B.S. Jursic 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 72 KB

Complete basis set ab initio study of po

Complete basis set ab initio study of potential energy surfaces of the dissociation recombination reaction HCNH++e−

✍ B.S Jursic 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 155 KB

Exploring the lowest energy triplet pote

Exploring the lowest energy triplet potential energy surface for cyclic C4H4 isomers with the complete basis set ab initio method. Is the transformation of triafulvene into cyclobutadiene possible in their excited states?

✍ B.S Jursic 📂 Article 📅 1999 🏛 Elsevier Science 🌐 English ⚖ 255 KB

Complete basis set ab initio and hybrid

Complete basis set ab initio and hybrid density functional theory exploration of the potential energy surface in the reaction between an amino radical and nitrogen oxide

✍ Branko S. Jursic 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 148 KB 👁 2 views

The potential energy surface for the reaction involving NH plus NO 2 was explored with a quadratic complete basis set ab initio approach and three hybrid density functional theory methods, the target being to accurately estimate activation barriers and the relative stability of the nitrogen᎐oxygen i