Out-of-plane interactions

Excited states of Cr + complexes were explored by single crystal spectroscopy at low temperatures. In the dimeric [a Cr(0H)2Cra ] + the sharp 2E single excitations were used to determine orbital exchange parameters. Out-of-plane interactions are dominant. The complex CrCljt was studied in two exactly octahedral crystal environments. 

Additional terms, including out-of-plane interactions, hydrogen bonding, cross terms etc., can also be included (see Section 3.2). The general approach of mole-... 

Activating interaction types that are not relevant (e.g. out-of-plane in the present case) will only marginally increase the time taken for minimization but it will lead to Force Field Messages (see Fig. 17.2.5 in that example, we have activated the out-of-plane interactions). 

In both [PhCNSSN][S3N3] and [PhCNSSN]2[Pt(mnt)2], there are ir out-of-plane interactions between cation and anion, as previously described in Section III, and arising through 77/77 overlap. In order to maximize such overlap, the mean planes of cations and anions in both complexes are approximately coplanar and the twist angle between the phenyl and... 

These out-of-plane interactions between radical centers are identical to those proposed, on theoretical grounds, to be responsible for the solution-state rearrangement of 3 radicals (Section XXI.A. 1) we will see later (Section XXIII.G.3) that this material undergoes an unprecedented mode or rearrangement in the solid state. 

The energy of valence interactions accounts for bond stretching (bond), valence angle bending (angle), dihedral angle torsion (torsion), and inversion, also called out of plane interactions (oop) ... 

Kadysiewksi S, Mosalam KM (2009) Modeling of unreinforced masonry infill walls. Considering in-plane and out-of-plane interaction. In Report PEER 2008/102. Pacific Earthquake Engineering Research Center, Berkeley... 

Hence, two parameters are required to describe the out-of-plane interaction between p-type orbitals (e ) and X tyP orbitals (e ), respectively. Using these... 

In Sect. 2.3.1 of the theoretical part we have outlined the concept for phase-coupled frontier orbitals and shown that the relevant molecular orbitals of the MC[ ) entity can be classified with respect to the C2-axis into symmetric ( -type) or antisymmetric (vp-type) MO s. Two different rr-parameters are required to describe the specific d out-of-plane interactions between in-phase ip-type (e j) and out-of-phase ( ns) orbitals, respectively. As indicated in Fig. 7,... 

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