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An exponential falloff with separation of electron transfer and transport through molecular wires is observed and has attracted theoretical attention. In this study, the attenuation of transmission in linear and cyclic polyenes is related to bond alternation. The explicit form of the zeroth Green's function in a Hückel model for bond-alternated polyenes(More)
An empirical observation of a relationship between a striking feature of electronic transmission through a π-system, destructive quantum interference (QI), on one hand, and the stability of diradicals on the other, leads to the proof of a general theorem that relates the two. Subject to a number of simplifying assumptions, in a π-electron system, QI occurs(More)
There is a consensus that long-range electron transfer/transport occurs by a through-bond rather than through-space mechanism. In helical all-Z, all-s-cis oligoenes, one can set up an interesting competition in the medium-separation regime between a closer (in distance) through-space path and a more distant through-bond one. Although such oligoene(More)
Site-specific electron transport phenomena through benzene and benzenedithiol derivatives are discussed on the basis of a qualitative Hückel molecular orbital analysis for better understanding of the effect of anchoring sulfur atoms. A recent work for the orbital control of electron transport through aromatic hydrocarbons provided an important concept for(More)
OBJECTIVE To examine the relationship between the inner cell mass (ICM) grade and its morphological configuration on the occurrence of monochorionic diamniotic (M-D) twinning. DESIGN Retrospective embryo cohort study. SETTING Private IVF clinic. PATIENT(S) Evaluation of frozen-thawed single blastocyst transfers with hormone replacement treatment in(More)
For transmission of electrons through a π system, when the Landauer theory of molecular conductance is viewed from a molecular orbital (MO) perspective, there obtains a simple perturbation theoretic dependence, due to Yoshizawa and Tada, on a) the product of the orbital coefficients at the sites of electrode attachment, and b) the MO energies. The frontier(More)
The explicit form of the zeroth Green's function in the Hückel model, approximated by the negative of the inverse of the Hückel matrix, has direct quantum interference consequences for molecular conductance. We derive a set of rules for transmission between two electrodes attached to a polyene, when the molecule is extended by an even number of carbons at(More)
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 valence bond self-consistent field (VBSCF) calculations and modeling of polyenes, C2nH2n+2 (n = 2-10). The theoretical treatment shows that starting with n = 5,(More)
The authors have been developing CTR (Concentration Time Ratio) index, a quantitative measurement index analyzing the answering time distribution of receipt classification task as a cognitive task with uniform difficulty. However, the receipt classification task has some issues. In this paper, a new cognitive task, "comparison task" has been proposed. It(More)
The symmetry of a molecule junction has been shown to play a significant role in determining the conductance of the molecule, but the details of how conductance changes with symmetry have heretofore been unknown. Herein, we investigate a naphthalenedithiol single-molecule system in which sulfur atoms from the molecule are anchored to two facing gold(More)