The nature of the electronic-structure of polyenes, their delocalization features, and potential diradicaloid characters constitute a fundamental problem in chemistry. To address this problem, we used ...

Prof. Baskaran is internationally known for his pioneering theoretical work in condensed matter physics and high-temperature ...

G. Baskaran, Z. Zou, P. Anderson, The resonating valence bond state and high-Tc superconductivity — A mean field theory. Solid State Commun. 63 , 973 (1987). Google Scholar ...

In this paper, a valence bond method based on Lewis structures, called LVB, is presented. The method uses a Slater determinant expansion of doubly occupied orbitals for describing a Lewis structure ...

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Home; Articles; Block-Correlated Coupled Cluster Theory Based on the Generalized Valence Bond Reference for Singlet–Triplet Energy Gaps of Strongly Correlated Systems ...

DEPARTMENT OF PHYSICS, UNIVERSITY OF CALIFORNIA, SAN DIEGO (LA JOLLA) This research was supported by the Advanced Research Projects Agency (Project Defender) and was monitored by the U.S. Army ...

In VSEPR theory, electron pairs in the valence shell of an atom can be bonding or non-bonding. Bonding pairs are shared between atoms, while non-bonding pairs (lone pairs) are not shared.

Oxygen has six valence electrons, and both oxygens form a double bond, meaning there are four bonding electrons between them. The bond order in this case would be: Bond Order = (4) / (1) = 4. 2.

Our theory could predict whether a bond would be strengthened depending on the presence of valence orbitals with nodes. This phenomenon is not in itself new. We know that out-of-phase light waves ...