(Section 2.7.2), it is possible for chain molecules to form regions in which repeat units are aligned in close-packed, ordered arrays.Crystalline regionsin polymers are generally lamellar in form and often small, with their smallest dimension in the order of 10–20 nm. Inevitably, because of...
In three-center two-electron bonds ("3c-2e") three atoms share two electrons in bonding. This type of bonding occurs in electron deficient compounds like diborane. Each such bond (2 per molecule in diborane) contains a pair of electrons which connect the boron atoms to each other in a ban...
Unique features of (LDipN)AlTe(LEt)2 are the terminal position of the tellurium atom, the shortest aluminum–tellurium distance hitherto reported for a molecular complex and the highest bond order reported for an interaction between these elements, to the best of our knowledge. At elevated ...
100 However, when the MP4 calculations were carried out using polarization functions also for third- and fourth-order corrections, the value further increases to 381.6 kJ mol− 1.128 Once more the use of CCSD approaches led to values still higher (460.2 kJ mol− 1),103 and even higher...
The tendency for nucleophilic attack varies withthe carbene substituents and increases in the order (CO) M=C(Ph)NR ((CO)MC(Ph)OMe<(CO)M=CPh2.52 5(b) Electrophilic attack occurs at the alkoxy carbene substituent. By this route the alkoxygroup can be removed and the carbene ligand is ...
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Another example of a molecule containing a 3-electron bond, in addition to two 2-electron bonds, isnitric oxide, NO. The oxygen molecule, O2can also be regarded as having two 3-electron bonds and one 2-electron bond, which accounts for itsparamagnetismand its formal bond order of 2.[4]...
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Their “geometrical sensitivity” is excellent for the zone where the light enters into the solar cell, but it is very much reduced at the far end of the solar cell toward the back reflector (BR) in Fig. 17. In order to probe the far end of the cell, it is necessary to employ a ...
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2). Chem. Phys. Lett. 396, 142–149 (2004). CAS Google Scholar Werner, H. & Meyer, W. A quadratically convergent MCSCF method for the simultaneous optimization of several states. J. Chem...