P-O Correlation

Ldwdin, P.-O., Correlation problem in many-electron quantum mechanics. Adv. Chem. Phys. It 207 (1959). A classic review article on the correlation problem. 

Ldwdin P O 1959 Correlation problem in many-eleotron quantum meohanios Adv. Chem. Phys. 2 207-32... 

Fig. 23. Pressure drop and flooding correlation for various random packings (95). ip = p- o IP-l (standard acceleration of free fall) = 9.81 m/s, p, = liquid viscosity ia mPa-s numbers on lines represent pressure drop, mm H2O /m of packed height to convert to ia. H2O /ft multiply by 0.012. Packing...

Lowdin, P.-O., Phys. Rev. 97, 1474, 1490, 1509, Quantum theory of many-particle systems. I. Physical interpretations by means of density matrices, natural spin-orbitals and convergence problems in the method of configuration interaction. II. Study of the ordinary Hartree-Fock approximation. III. Extension of the Har-tree-Fock scheme to include degenerate systems and correlation effects. ... 

Lowdin, P.-O., Les electrons dans les metaux, Dixieme confirence Solvay, Bruxelles, 1954, p. 71. An extension of the Hartree-Fock scheme to include correlation effects. ... 

Shull, H., and Lowdin, P.-O., J. Chem. Phys. 25, 1035, Correlation splitting in helium-like ions. ... 

Lowdin, P.-O., and Redei, L., Combined use of the methods of superposition of configurations and correlation factor on the ground states of He-like ions."... 

Hansch C, Fujita T. p-o-ix Analysis method for the correlation of biological activity and chemical structure. J Am Chem Soc 1964 86 1616-26. 

Finally, Deschamps et al. reported for the first time a homonuclear connectivity map between the quadrupolar nuclei based on J couplings [284], The experiment uses a relayed heteronuclear transfer via spin-1/2 nuclei to a second quadrupolar spin via four chemical bonds (in this case / -mediated Al-O- P-O- Al transfer), in a scheme equivalent to the heteronuclear SQ correlation (HSQC) experiment. 

Slater, J. C., Statistical exchange-correlation in the self-consistent field (P. O. Lowdin, ed.). Advan. Quantum Chem. 6, 1 (1972). 

A series of hexadiendioic acid derivatives such as (17) (of uncertain stereochemistry) inhibited cRBL and rat ISN (2 /rM in both), and also inhibited AAE (10 /rg/ear topically, 20 mg/kg p.o.) [57].The thioether group in (17) was required for activity, but the nature of the alkyl group was unimportant. Benzoyl groups or preferably esters were required at each end of the molecule. In vivo activity did not correlate with 5-LO inhibition. 

Figure 5 shows all data from a number of sources for the transition temperature. The values are well correlated by plotting against the total acid content (as wt% P O + H.SQ. ). The other quantities above have been correlated by. 

Pierloot, K., Dumez, B., Widmark, P.-O., Roos, B.O. Density-matrix averaged atomic natural orbital (ANO) basis-sets for correlated molecular wave-functions. IV. Medium-size basis-sets for the atoms H-Kr. Theor. Chim. Acta 1995, 90, 87-114. 

In Table 3 the total energy through second-order and the second-order correlation energy component for the ground state of the fluoride anion determined with a sequence of basis sets designed for the neutral F atom are presented. Values of A [p/o](F [F])[2 p and AE2 F [N]) 2 results presented in Table 3 should be compared with... 

Ai [p/o](A e [iVe])(spd] and i Epresent work to determine accurate correlation energies. However, it is known [45] [46] [47] that the exact second order energy for the neon atom ground state is —0.3879 Hartree. The largest basis set of s- and p- type functions considered in Table 1, therefore, recovers 37.7% of the exact second order correlation energy component whilst the largest basis set of functions with s-, p- and d-symmetries considered in Table 8 corresponds to 66.8% of the exact value. 

The first observation of spin-polarization in PS I was reported by Blankenship et al.273 in 1975 (for review see reference 274). Spectra at higher mw frequencies allowed the assignment Aj to a quinone in the radical pair.275276 Interestingly, two sequential RPs were observed277,278 resulting from P q A, and P o FeS" showing that kinetic information about forward ET can be extracted in addition to relaxation and polarization decay. Furthermore, the relative orientation of AT and Aj- could be deduced, the analysis is based on the correlated coupled radical pair (CCRP) concept.279 281... 

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