Results 171 to 180 of about 4,402 (189)

ChemInform Abstract: EFFECTIVELY HYPERVALENT MOLECULES. 2. LITHIUM CARBIDE (CLI5), LITHIUM CARBIDE E (CLI6), AND THE RELATED EFFECTIVELY HYPERVALENT FIRST ROW MOLECULES, CLI5‐NHN AND CLI6‐NHN

Chemischer Informationsdienst, 1983
AbstractWährend "CHs" und "CHg" nur als schwache Komplexe zwischen Methan und H‐Atomen existieren, wird für die Li‐Verbindungen (I) und (II) nach ab initio‐Berechnungen mit dem 3‐2lG Basis‐ Set und bei voller geometrischer Optimierung hoher Stabilibät gegen alle möglichen Dissoziationsreaktionen vorausgesagt.
P. VON R. SCHLEYER, E.‐U. + WUERTHWEIN, E. KAUFMAN, T. CLARK, J. A. POPLE   +4 more
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Valence Bond Concepts Applied to the Molecular Mechanics Description of Molecular Shapes. 2. Applications to Hypervalent Molecules of the P-Block

Journal of the American Chemical Society, 1996
A fascinating aspect of inorganic chemistry is the occurrence of complicated and varied molecular shapes. However, these same features lead to difficulties in developing molecular mechanics (MM) methods that are suitable for inorganic molecules. In this paper we demonstrate that simple valence bond concepts can guide the construction of a new MM force ...
Thomas Cleveland and, Clark R. Landis
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A Simple Qualitative Molecular-Orbital/Valence-Bond Description of the Bonding in Main Group "Hypervalent" Molecules

Journal of Chemical Education, 1998
A multicenter valence-bond/molecular-orbital bonding scheme for main group "hypervalent" molecules is proposed which extends the 3-center-4-electron (3c-4e) bonding model of Rundle and Pimentel to include 4c-6e, 5c-8e, and 6c-10e bonds. This model allows the determination of bond orders and a rationalisation of bond distances.
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Hypervalent molecules and peripheral orbitals

Journal of Chemical Education, 1985
San-Yan Chu, Shyi-Long Lee
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<i>d</i> Orbitals in Hypervalent Molecules [PDF]

University Chemistry, 2016
Tian-Yang Chen, Xiang-Yu Chen, Zhi-Hao Cui, Ru-Ben Fan   +3 more
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ChemInform Abstract: Pentacoordinated Molecules. Part 74. Distortion Coordinate for Five‐Coordinated Tin. A Model for Nucleophilic Substitution. Synthesis and Structure of Hypervalent Anionic (Cyanoethylenedithiolato)stannates.

, 1988
Roberta O. Day, Joan M. Holmes, S. SHAFIEEZAD, Vadapalli Chandrasekhar, Robert R. Holmes   +4 more
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Electron Pair Bond Model for Transition States and Hypervalent Molecules

, 2001
博隆 池田
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Ionization energies of hypervalent Li₂F, Li₂Cl and Na₂Cl molecules obtained by surface ionization electron impact neutralization mass spectrometry

, 2002
O. Nešković, M. Veljković, Suzana Veličković, Ljubica T. Petkovska, Aleksandra Perić‐Grujić   +4 more
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Increased-valence structures and hypervalent molecules

International Journal of Quantum Chemistry, 1996
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Myths and Reality of Hypervalent Molecules. The Electronic Structure of FClO_x, x = 1−3, Cl₃PO, Cl₃PCH₂, Cl₃CClO, and C(ClO)₄

, 2011
Απόστολος Καλέμος, Aristides Mavridis   +1 more
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