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1 ng for heterogeneity in electron density and ionization potential.
2 n, zero electron affinity and an unsurpassed ionization potential.
3 undergo an inversion as a function of alkyne ionization potential.
4 cal band gap of 1.75 eV combined with a high ionization potential.
5 reported to very significantly decrease its ionization potential.
6 gth of its triple bond, nonpolarity and high ionization potential.
7 ct energetic shifts for ligands of differing ionization potentials.
8 tting to experimental heats of formation and ionization potentials.
9 species to determine adiabatic and vertical ionization potentials.
10 reveal how electron temperature varies with ionization potential and accommodates density effects.
11 sorption is likely due to both a decrease in ionization potential and an increase in bond length and
13 consistent with the periodic trends of both ionization potential and lattice energies of the species
14 2) pressure were optimized, with the optimum ionization potential and N(2) pressure found to be 3206
15 ags was separately used to lower the peptide ionization potential and permit direct ionization by 7.8
16 is found to be highly dependent on both the ionization potential and the C-H bond strength of the su
17 step, because this site has a relatively low ionization potential and this causes the radical cation
18 ly(p-phenylene ethynylene)s (PPEs) with high ionization potentials and associated high excited-state
19 erfluorination is calculated to increase the ionization potentials and electron affinities by approxi
20 s emphasized that one needs to use adiabatic ionization potentials and electron affinities instead of
21 plied to atoms and molecules for calculating ionization potentials and electron affinities, but fails
24 -tuning their electronic properties, such as ionization potentials and mechanistic pathways for react
25 ation generation (DeltaDeltaH(f) degrees and ionization potentials) and for probing the structures of
27 s include the bond dissociation energies and ionization potentials, and the reactions include those w
28 In addition, their dissociation energies and ionization potentials are reduced from those in correspo
29 o the target molecule, the difference in the ionization potentials between helium and the molecule re
32 electrochemically do not correlate with the ionization potentials determined by photoelectron spectr
33 nt of inertia, total energy, polarizability, ionization potential, dipole moment, subpolarity), compu
34 ectroscopy (UPS), and those with the highest ionization potentials displayed high sensitivity for the
37 al-benzene distances, dissociation energies, ionization potentials, electron affinities, and spin mul
38 mproving the accuracy in heats of formation, ionization potentials, electron affinities, and total at
39 rmation and adiabatic electron affinities or ionization potentials for N3, N3-, N5+, and N5- from tot
40 can be accelerated by up to 27 GeV in a high-ionization-potential gas (argon), boosting their initial
41 the guanine base is the site with the lowest ionization potential in oligonucleotides and DNA and is
43 The O-H bond dissociation energy (BDE) and ionization potential (IP) key parameters were computed i
45 ng on the oxidation state of State I and the ionization potential (IP) of the organics; that is, only
47 ar mass compounds showing appropriate redox (ionization potential (IP), electron affinity (EA)), elec
48 ed from the natural log of rate constants vs ionization potentials (IP) indicates that fluoroalkenes
50 Experiments demonstrate that peptides with ionization potentials (IPs) above 7.87 eV can be single-
51 ) by using Wilkinson's catalyst versus their ionization potentials (IPs) and versus their lowest unoc
52 f aqueous ionization energies with gas-phase ionization potentials (IPs) indicates that hydration alt
54 (Me)CG sequences may be caused by a lowered ionization potential of guanine bases paired with (Me)C
58 ion tag for the entire peptide, lowering the ionization potential of the complex below the 7.87-eV ph
59 k(cat) can be expressed as functions of the ionization potential of the donor (I(D)) and the electro
64 (3)O)3 is shown to have low first and second ionization potentials of 2.49 and 4.64 eV, respectively,
66 them it is necessary that the difference in ionization potentials of contiguous guanine and adenine
67 estimated lattice energies and the adiabatic ionization potentials of the anions and electron affinit
68 is linearly correlated with the one-electron ionization potentials of the corresponding heterocyclic
70 ations, we observe a large dependence of the ionization potentials of the polymers estimated by elect
71 semiconductor NCs with the vastly different ionization potentials of their Ag(+) and Cu(+) dopants.
73 nantly involves photoexcitation of the lower ionization potential species (donor) followed by electro
74 a matrix consisting of a compound with a low ionization potential such as benzo[ghi]perylene in the f
75 predicted free energies of base stacking and ionization potentials, suggesting a possible origin via
76 ore weakly correlated with sequence-specific ionization potential than G oxidation produced by ribofl
77 igher energy HOMO orbital and lower computed ionization potential than the only other significantly p
78 energy significantly lower than the guanine ionization potential, the one-photon ionization quantum
79 es indicate that in addition to lowering the ionization potential, the presence of the aromatic tag i
80 m states of the Ni9Te6 cluster, lowering its ionization potential to 3.39 eV thus creating a superalk
83 backbone--due to an increase in the polymer ionization potential--while the short-circuit current de
84 near correlation of the calculated effective ionization potentials with the experimental oxidation po
85 facilitates correlation of these complexes' ionization potentials with their respective activity tow
86 rination leads to an increase in the polymer ionization potential without a significant change in opt
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