✦ LIBER ✦

Theoretical study of molecular properties of low-lying electronic excited states of H 2 O and H 2 S

✍ Scribed by Páleníková, Jana; Kraus, Michal; Neogrády, Pavel; Kellö, Vladimir; Urban, Miroslav

Book ID: 126543337
Publisher: Taylor and Francis Group
Year: 2008
Tongue: English
Weight: 175 KB
Volume: 106
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268970802454786

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study of the low-lying elect

Theoretical study of the low-lying electronic excited states for molecular aggregates

✍ ZhiGang Shuai, WenJian Liu, WanZhen Liang, Qiang Shi, Hui Chen 📂 Article 📅 2013 🏛 SP Science China Press 🌐 English ⚖ 453 KB

Highly Excited Bound and Low-Lying Reson

Highly Excited Bound and Low-Lying Resonance States of H 2 O †

✍ Gray, Stephen K.; Goldfield, Evelyn M. 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 122 KB

A CASSCF-CI study of the ground and low-

A CASSCF-CI study of the ground and low-lying excited electronic states of C2H+2

✍ Wolfgang P. Kraemer; Wolfram Koch 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 578 KB

Complete-active-space SCF and multi-reference configuration interaction calculations employing large Gaussian basis sets of the general contraction type have been carried out to determine the equilibrium structures and relative stabilities of the ground electronic state R 'I& of the acetylene cation

Theoretical study on low-lying electroni

Theoretical study on low-lying electronic states of Na 2

✍ Jeung, G 📂 Article 📅 1983 🏛 Institute of Physics 🌐 English ⚖ 540 KB

Coupled-cluster and multireference confi

Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex

✍ Linguerri, Roberto; Francisco, Joseph S. 📂 Article 📅 2012 🏛 American Institute of Physics 🌐 English ⚖ 728 KB

A theoretical study on the low-lying ele

A theoretical study on the low-lying electronic states of the Li2H molecule

✍ Wei-hai Fang; Xiao-zeng You; Zhen Yin 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 395 KB

The structures and properties of the ground and low-lying excited states of Li2H have been investigated by ab initio calculation. The UMP2-0ptimized geometry of ground-state Li2H is in agreement with experiment. Properties of the excited 2B2 and 2A 2 states have been predicted, based on UMP2-0ptimiz