✦ LIBER ✦

Ab Initio Calculations on PO 2 and Anharmonic Franck−Condon Simulations of Its Single-Vibrational-Level Emission Spectra

✍ Scribed by Lee, Edmond P. F.; Mok, Daniel K. W.; Dyke, John M.; Chau, Foo-Tim

Book ID: 120231910
Publisher: American Chemical Society
Year: 2002
Tongue: English
Weight: 131 KB
Volume: 106
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp026202u

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab Initio Calculations and Franck–Condon

Ab Initio Calculations and Franck–Condon Simulation of the Absorption Spectra of GeCl2 Including Anharmonicity

✍ Daniel K. W. Mok; Foo-tim Chau; Edmond P. F. Lee; John M. Dyke 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 202 KB 👁 1 views

The Singlet–Triplet Separation in CF2: S

The Singlet–Triplet Separation in CF2: State-of-the-Art Ab Initio Calculations and Franck–Condon Simulations Including Anharmonicity

✍ Foo-tim Chau; Daniel K. W. Mok; Edmond P. F. Lee; John M. Dyke 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 160 KB 👁 1 views

High-level ab initio calculations on HGe

High-level ab initio calculations on HGeCl and the equilibrium geometry of the Ã1A″ state derived from Franck-Condon analysis of the single-vibronic-level emission spectra of HGeCl and DGeCl

✍ Daniel K. W. Mok; Foo-Tim Chau; Edmond P. F. Lee; John M. Dyke 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 387 KB

## Abstract CCSD(T) and/or CASSCF/MRCI calculations have been carried out on the X̃^1^A′ and Ã^1^A″ states of HGeCl. The fully relativistic effective core potential, ECP10MDF, and associated standard valence basis sets of up to the aug‐cc‐pV5Z quality were employed for Ge. Contributions from core c

Franck−Condon Simulations including Anha

Franck−Condon Simulations including Anharmonicity of the Ã 1 A′′−X̃ 1 A′ Absorption and Single Vibronic Level Emission Spectra of HSiCl and DSiCl

✍ Mok, Daniel W. K.; Lee, Edmond P. F.; Chau, Foo-tim; Dyke, John M. 📂 Article 📅 2009 🏛 American Chemical Society 🌐 English ⚖ 229 KB

A Combined Ab Initio/Franck–Condon Study

A Combined Ab Initio/Franck–Condon Study of the Ã–X̃ Single-Vibronic-Level Emission Spectrum of CCl2 and the Photodetachment Spectrum of CCl2−

✍ John M. Dyke; Edmond P. F. Lee; Daniel K. W. Mok; Foo-tim Chau 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 225 KB