Coordinate driving ET collective solvent coordinate driving PT general solvent reaction coordinate in EPT mechanisms

Coordinate driving ET collective solvent coordinate driving PT general solvent reaction coordinate in EPT mechanisms transition state coordinate typical electron position in its I (-) and F (+) equilibrium states (section 11) Trisodium citrate dihydrate Cancer coordinates of core electrons coordinates of “infinitely” rapidly solvent electrons coordinate with the transferring proton (in the transition state) equilibrium proton position inside the I (-) and F (+) electronic states (section 11) proton donor-acceptor distance reaction center position vector edge-to-edge distance between the electron donor and acceptor (section 8) radius with the spheres that represent the electron donor and acceptor groups inside the continuum ellipsoidal model adopted by Cukier distances involving electronic, nuclear, and electronic-nuclear positions one-electron density probability density of an X classical Eniluracil Purity & Documentation oscillator metal density of states (section 12.5) ribonucleotide reductase collective solvent coordinate self-energy on the solvent inertial polarization in multistate continuum theory transformed , namely, as a function in the coordinates in eqs 12.3a and 12.3b solute complicated (section 12.5) Soudackov-Hammes-Schiffer overlap amongst the k (p) and n (p) k k vibrational wave functions resolution reaction path Hamiltonian Pauli matrices temperature half-life transition probability density per unit time, eq 5.3 nuclear kinetic energy in state |n (|p) n nuclear, reactive proton, solvent, and electronic kinetic power operators lifetime on the initial (just before ET) electronic state proton tunneling time rotation angle connecting two-state diabatic and adiabatic electronic sets dimensionless nuclear coupling parameter, defined in eq 9.dx.doi.org/10.1021/cr4006654 | Chem. Rev. 2014, 114, 3381-Chemical Evaluations ukn if V VB Vc VIF V IFin(r)ReviewV Vg(R) J -Vn Vs Vss vtnWIF WKB WOC wr (wp) wnn = wr = wp nn nn X x xH xt ad ( ad) kn kns(x) (p) X (X) k n jn Z Zp I j (or 0) e n pPT Landau-Zener parameter prospective energy valence bond possible power at PES crossing inside the Georgievskii and Stuchebrukhov model (successful) electronic coupling successful electronic coupling amongst nonorthogonal diabatic electronic states electrostatic possible field generated by the inertial polarization field interaction possible among solute and solvent electronic degrees of freedom gas-phase prospective power for proton motion in the J (= I or F) electronic state bond energy in BEBO for bn = 1 prospective of interaction among solute and solvent inertial degrees of freedom solvent-solvent interaction prospective proton “tunneling velocity” constant with Bohm’s interpretation of quantum mechanics gas-phase solute power plus solute-solvent interaction power inside the multistate continuum theory vibronic coupling Wentzel-Kramers-Brillouin water-oxidizing complicated perform terms necessary to bring the ET reactants (items) for the mean D-A distance within the activated complicated function terms for any self-exchange reaction coordinate characterizing the proton D-A method, commonly the D-A distance R,Q set, or only R inside the Georgievskii and Stuchebrukhov model; distance in the metal surface in section 12.five distance of your OHP in the metal surface Rt,Qt, namely, x worth at the transition state total (basis) electronic wave function ground (excited) adiabatic electronic state corresponding to the k and n diabatic electronic states in the two-state approximation double-layer electrostatic possible field inside the absence of SC in section 12.five total nuc.