✦ LIBER ✦

Variable metric optimization of molecular geometry in electronically excited states

✍ Scribed by Jaroslav Leška; Pavol Zahradník; Darina Ondrejičková

Book ID: 104803942
Publisher: Springer
Year: 1979
Tongue: English
Weight: 756 KB
Volume: 53
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00550280

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The use of internal coordinates in the v

The use of internal coordinates in the variable metric method of molecular geometry optimization

✍ M.B. Smirnov 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 496 KB

Molecular geometry and excited electroni

Molecular geometry and excited electronic states. III. Theoretical Study on Excited State Geometry and Fluorescence Properties of Fluoranthene

✍ Dr. J. Sühnel; Dipl.-Chem. U. Kempka; Doz. Dr. K. Gustav 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 340 KB

**Molekülgeometrie und angeregte Elektronenzustände. III. Theoretische Studie zur Geometrie angeregter Elektronenzustände und zu den Fluoreszenzeigenschaften von Fluoranthen** Es wurde die Gleichgewichtsgeometrie des Fluoranthens in den S~n~‐Zuständen (n = 0, 1, 2, 3, 4) durch Minimisierung der Ges

Molecular geometry and excited electroni

Molecular geometry and excited electronic states. XII. Equilibrium Geometries of 9-Phenyl Anthracene in different electronic states and its electronic spectral behaviour

✍ Prof. Dr. K. Gustav 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 561 KB

Ab initio study of cyclobutadiene in exc

Ab initio study of cyclobutadiene in excited states: optimized geometries, electronic transitions and aromaticities

✍ F. Fratev; V. Monev; R. Janoschek 📂 Article 📅 1982 🏛 Elsevier Science 🌐 French ⚖ 431 KB

Electronic spectra, excited-state geomet

Electronic spectra, excited-state geometries and molecular electrostatic potentials of aromatic amino acids

✍ P.S Kushwaha; P.C Mishra 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 138 KB

Molecular geometry and excited electroni

Molecular geometry and excited electronic states. Theoretic study on the molecular geometry and the fluorescence lifetime difference of isometric phenylnapkthalenes

✍ Klaus Gustav; Ulrich Kempka; Jürgen Sühnel 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 267 KB

The equlbnum molecular geometries of 1-phenyl-and 2-phenyl-naphthaknes in the electronic So and S1 states hake been calculnred by muumiz ation of the total enera with respect to all molecular coordmates. The singlet term systems of both isomers have txen determined usmg these results. Although rhe f