✦ LIBER ✦

Theoretical studies on quinones I. The structure ofp-benzoquinone and two of its excited triplet states

✍ Scribed by John R. Ball; Colin Thomson

Publisher: Springer
Year: 1988
Tongue: English
Weight: 699 KB
Volume: 74
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00527143

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A theoretical study on the molecular str

A theoretical study on the molecular structure of biphenylene in its first excited singlet and triplet states: quantum chemical calculations on the structural changes of an antiaromatic molecule upon excitation

✍ Ralf Zimmermann 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 761 KB

A theoretical study of molecular structu

A theoretical study of molecular structure in the excited state and molecular luminescence: I. An SCF-CI calculation of luminescence transitions and molecular structure in equilibrium excited states of some aromatic molecules

✍ Hlip Fratev; George Hiebaum; Alexander Gochev 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 742 KB

Mo studies on the structure of thianthre

Mo studies on the structure of thianthrene and its cation radicals (the ground state and first excited states) and some of their chemical properties

✍ Karl Anker Jørgensen 📂 Article 📅 1986 🏛 Elsevier Science 🌐 French ⚖ 305 KB

Theoretical study of solvent effect on t

Theoretical study of solvent effect on the structure, first electronic excited state, and nonlinear optical properties of substituted stilbazolium cations

✍ Talgat M. Inerbaev; Feng Long Gu; Hiroshi Mizuseki; Yoshiyuki Kawazoe 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 128 KB

## Abstract Molecular structure, first excited state properties and charge distribution of a series of substituted stilbazolium cations in different media are theoretically investigated. First static hyperpolarizability (β~0~) of considered compounds is studied by both finite‐field and two‐state mo

Methyl Fluorocarbonyl Disulfide (FC(O)SS

Methyl Fluorocarbonyl Disulfide (FC(O)SSMe): A Theoretical Study on the Structural and Conformational Properties of Its Neutral Ground State and Lowest-Lying Cationic State

✍ Mauricio F. Erben; Carlos O. Della Védova 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 German ⚖ 198 KB

## Abstract In this work, we present a theoretical study on the structural and conformational properties of FC(O)SSMe in its neutral and cationic ground states. The structure of the neutral molecule, as deduced from __HartreeFock__ (__HF__), __Density Functional Theory__ (__DFT__), and __MøllerPl

A comparative study on metal–metal inter

A comparative study on metal–metal interaction in binuclear two- and three-coordinated d10-metal complexes: Spectroscopic investigation of M(I)–M(I) interaction in the 1[dσ*pσ] excited state of [M2(dcpm)2]2+ (dcpm = bis(dicyclohexylphosphino)methane) (M = Au, Ag, Cu) and [M2(dmpm)3]2+ (dmpm = bis(dimethylphosphino)methane) (M = Au, Ag, Cu) complexes

✍ David Lee Phillips; Chi-Ming Che; King Hung Leung; Zhong Mao; Man-Chung Tse 📂 Article 📅 2005 🏛 Elsevier Science 🌐 English ⚖ 850 KB