Chemical bonds valence bond diagrams

S. Shaik, A. Shurki, Angew. Chem. Int. Ed. Engl. 38, 586 (1999). Valence Bond Diagrams and Chemical Reactivity. 

S. Shaik, P. C. Hiberty, The Valence Bond Diagram Approach A Paradigm for Chemical Reactivity, in Theory and Applications of Computational Chemistry The First Fourty Years, C. Dykstra, Ed., Elsevier, New York, 2005, pp. 635-668. 

The valence bond diagram approach a paradigm for chemical reactivity... 

The valence bond diagram approach a paradigm for chemical reactivity of the singlet-triplet gap of the A-Y bond [28,52], namely,... 

Chapter 23 - The valence bond diagram approach A paradigm for chemical reactivity. Pages 635-668, Sason Shaik and Philippe C. Hiberty... 

Shaik S, Shurki A (1999) Valence bond diagrams and chemical reactivity. Angew Chem Int Ed 38 586-625... 

S. S. Shaik, P. C. Hiberty, Adv. Quant. Chem. 26, 100 (1995). Valence Bond Mixing and Curve Crossing Diagrams in Chemical Reactivity and Bonding. 

VBSCD Valence bond state correlation diagram. A VB diagram that views the barrier formation as a result of avoided crossing between two state curves that are anchored in the ground and two excited states of reactants and products. The VBSCD is a paradigm for the barrier in chemical reactions (see Chapter 6). 

The BOVB method does not of course aim to compete with the standard ab initio methods. BOVB has its specific domain. It serves as an interface between the quantitative rigor of today s capabilities and the traditional qualitative matrix of concepts of chemistry. As such, it has been mainly devised as a tool for computing diabatic states, with applications to chemical dynamics, chemical reactivity with the VB correlation diagrams, photochemistry, resonance concepts in organic chemistry, reaction mechanisms, and more generally all cases where a valence bond reading of the wave function or the properties of one particular VB structure are desirable in order to understand better the nature of an electronic state. The method has passed its first tests of credibility and is now facing a wide field of future applications. 

Recall that an electron-dot structure is a type of diagram used to keep track of valence electrons and is especially useful when illustrating the formation of chemical bonds. Table 8-1 shows several examples of electron-dot structures. For example, carbon has an electron configuration of ls 2s 2p. Its valence electrons are those in the second energy level, as can be seen in the electron-dot structure for carbon in the table. 

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