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1 nthesis recombined in reverse order of their ionization potential.
2 ng for heterogeneity in electron density and ionization potential.
3 n, zero electron affinity and an unsurpassed ionization potential.
4 ical as well as on the electron affinity and ionization potential.
5 undergo an inversion as a function of alkyne ionization potential.
6 cal band gap of 1.75 eV combined with a high ionization potential.
7 reported to very significantly decrease its ionization potential.
8 gth of its triple bond, nonpolarity and high ionization potential.
9 tions of rate constants with FMO energies or ionization potentials.
10 ct energetic shifts for ligands of differing ionization potentials.
11 tting to experimental heats of formation and ionization potentials.
12 species to determine adiabatic and vertical ionization potentials.
13 reveal how electron temperature varies with ionization potential and accommodates density effects.
14 sorption is likely due to both a decrease in ionization potential and an increase in bond length and
18 consistent with the periodic trends of both ionization potential and lattice energies of the species
19 2) pressure were optimized, with the optimum ionization potential and N(2) pressure found to be 3206
20 ags was separately used to lower the peptide ionization potential and permit direct ionization by 7.8
21 is found to be highly dependent on both the ionization potential and the C-H bond strength of the su
22 step, because this site has a relatively low ionization potential and this causes the radical cation
23 ly(p-phenylene ethynylene)s (PPEs) with high ionization potentials and associated high excited-state
24 significant gap between the M- and L-shells' ionization potentials and can be accelerated by strong,
25 erfluorination is calculated to increase the ionization potentials and electron affinities by approxi
26 s emphasized that one needs to use adiabatic ionization potentials and electron affinities instead of
27 plied to atoms and molecules for calculating ionization potentials and electron affinities, but fails
30 -tuning their electronic properties, such as ionization potentials and mechanistic pathways for react
31 ation generation (DeltaDeltaH(f) degrees and ionization potentials) and for probing the structures of
37 s include the bond dissociation energies and ionization potentials, and the reactions include those w
38 In addition, their dissociation energies and ionization potentials are reduced from those in correspo
39 tal properties of the additive metals (e.g., ionization potential) as physicochemical parameters, new
40 o the target molecule, the difference in the ionization potentials between helium and the molecule re
43 electrochemically do not correlate with the ionization potentials determined by photoelectron spectr
44 nt of inertia, total energy, polarizability, ionization potential, dipole moment, subpolarity), compu
45 ectroscopy (UPS), and those with the highest ionization potentials displayed high sensitivity for the
46 fully bypass QM calculations and derive the ionization potential, electron affinity, and conceptual
47 ated oligomeric segment has its own discrete ionization potential, electron affinity, and optical ban
50 al-benzene distances, dissociation energies, ionization potentials, electron affinities, and spin mul
51 mproving the accuracy in heats of formation, ionization potentials, electron affinities, and total at
53 rmation and adiabatic electron affinities or ionization potentials for N3, N3-, N5+, and N5- from tot
54 can be accelerated by up to 27 GeV in a high-ionization-potential gas (argon), boosting their initial
55 rgy metastable atoms (e.g., He(M)) with high ionization potentials (IE = 19.80 eV) did not show boost
56 the guanine base is the site with the lowest ionization potential in oligonucleotides and DNA and is
59 The O-H bond dissociation energy (BDE) and ionization potential (IP) key parameters were computed i
61 ng on the oxidation state of State I and the ionization potential (IP) of the organics; that is, only
63 ar mass compounds showing appropriate redox (ionization potential (IP), electron affinity (EA)), elec
64 ed from the natural log of rate constants vs ionization potentials (IP) indicates that fluoroalkenes
66 Experiments demonstrate that peptides with ionization potentials (IPs) above 7.87 eV can be single-
67 ) by using Wilkinson's catalyst versus their ionization potentials (IPs) and versus their lowest unoc
68 f aqueous ionization energies with gas-phase ionization potentials (IPs) indicates that hydration alt
71 (Me)CG sequences may be caused by a lowered ionization potential of guanine bases paired with (Me)C
75 adiation with photon energy greater than the ionization potential of the adsorbed molecules, photoele
77 ion tag for the entire peptide, lowering the ionization potential of the complex below the 7.87-eV ph
78 k(cat) can be expressed as functions of the ionization potential of the donor (I(D)) and the electro
80 level energies were used to re-evaluate the ionization potential of the indium atom to be [Formula:
86 (3)O)3 is shown to have low first and second ionization potentials of 2.49 and 4.64 eV, respectively,
88 them it is necessary that the difference in ionization potentials of contiguous guanine and adenine
89 estimated lattice energies and the adiabatic ionization potentials of the anions and electron affinit
90 is linearly correlated with the one-electron ionization potentials of the corresponding heterocyclic
93 ations, we observe a large dependence of the ionization potentials of the polymers estimated by elect
94 ce bandedge (5.0 eV) was misaligned with the ionization potentials of the widely used transport layer
95 semiconductor NCs with the vastly different ionization potentials of their Ag(+) and Cu(+) dopants.
98 nantly involves photoexcitation of the lower ionization potential species (donor) followed by electro
99 a matrix consisting of a compound with a low ionization potential such as benzo[ghi]perylene in the f
100 predicted free energies of base stacking and ionization potentials, suggesting a possible origin via
101 ore weakly correlated with sequence-specific ionization potential than G oxidation produced by ribofl
102 igher energy HOMO orbital and lower computed ionization potential than the only other significantly p
103 energy significantly lower than the guanine ionization potential, the one-photon ionization quantum
104 e predicted electron affinity, the predicted ionization potential, the optical gap, and the dispersib
105 es indicate that in addition to lowering the ionization potential, the presence of the aromatic tag i
107 nforcement of an ansatz that generalizes the ionization potential theorem to the removal of an electr
108 m states of the Ni9Te6 cluster, lowering its ionization potential to 3.39 eV thus creating a superalk
112 backbone--due to an increase in the polymer ionization potential--while the short-circuit current de
113 near correlation of the calculated effective ionization potentials with the experimental oxidation po
114 facilitates correlation of these complexes' ionization potentials with their respective activity tow
115 rination leads to an increase in the polymer ionization potential without a significant change in opt