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1 hat yield stable cationic fragments (smaller ionization energy).
2 d a localized deep defect state with a large ionization energy.
3 sent very electron-rich compounds with a low ionization energy.
4 s suggested by accurately measured adiabatic ionization energies.
5 compared using both activation and carbon 1s ionization energies.
6 the hpp ligands largely accounts for the low ionization energies.
7 and tryptophan, this approach yields aqueous ionization energies (4.46 and 4.58 eV, respectively) in
9 nitio methodology to determine the adiabatic ionization energies (AIEs) of specific gas-phase cytosin
11 combination of DFT-calculated average local ionization energies (ALIEs), thermodynamics of the produ
13 oxidation of various systems using adiabatic ionization energies and electron affinities calculated f
14 fied in the gas phase based on the adiabatic ionization energies and isotopic substitution studies.
18 elocalized shallow defect state with a small ionization energy and a localized deep defect state with
19 selectivity data by incorporating the clock ionization energy and C-C bond elongation during cation
20 chemical calculations are presented for the ionization energy and cation stability of several alkeny
21 ely photoionized and identified based on the ionization energy and distinct mass-to-charge ratios in
25 s from the competition between trends in the ionization energy and the ion-substrate coupling, down t
26 s, and the corresponding changes in vertical ionization energy and vertical electron affinity of the
27 eatures; namely, stoichiometry, ionic radii, ionization energies, and oxidation states for each of th
28 the large difference between Ag(+) and Cu(+) ionization energies ( approximately 1.5 eV), which shoul
30 In aqueous solution, the base and phosphate ionization energies are more similar, and only differ by
31 in 2 dimensions and mass spectra at variable ionization energies are shown to give unparalleled power
32 eV) and calculated (CCSD(T)/pVQZ) adiabatic ionization energies are the same; (2) the origin band ro
36 s amine-containing fragments with calculated ionization energies below 7.9 eV is attributed mostly to
41 ransfer such as the reorganization energies, ionization energies, charge-injection barriers, polariza
43 calculating electron trajectory, excitation/ionization energy deposition, elastic scattering energy
44 en the physical properties of a ligand, e.g. ionization energy, dipole moment, and polarizability, an
45 Nucleus-independent chemical shifts (NICS), ionization energies, electron affinities, and PCET energ
50 frameworks and apply it to obtain the first ionization energy for six prototype materials including
52 resonance energies, proton affinities, core ionization energies, frontier molecular orbitals, atomic
54 ction reaction efficiencies and the vertical ionization energies (IE) of the hydrogen-atom donors, bu
55 nization efficiencies was greatest when high ionization energy (IE) solvent compositions (IEs above 1
56 A'-site cation structure influences the WF, ionization energy (IE), and electron affinity (EA) of n
59 the quantum confinement in the photoemission ionization energy in air and optical band gap of carbon
63 This was achieved by sublimation of a low ionization energy matrix compound, 1,5-diaminonapthalene
65 atmospheric aerosols are analyzed and their ionization energies measured with uncertainties of +/-60
66 ee energies of hydration to describe aqueous ionization energies of 2'-deoxythymidine 5'-phosphate (5
68 0.1 eV and further indicated that the lower ionization energies of clusters permitted their detectio
70 ative approach for characterizing either the ionization energies of gases or the secondary-electron-e
73 rained cyclic molecules to reduce the lowest ionization energies of sulfur, selenium, and tellurium c
74 ed on the errors of s- and d-electron second ionization energies of the 3d atoms, that effectively ci
77 al results provides indirectly the adiabatic ionization energies of the free phosphine ligands, P(CH(
78 tity and is poorly correlated with the third ionization energies of the isolated metals but is well c
79 e substituents have a large influence on the ionization energies of the nitroethylene derivatives.
82 tocols, we accurately determine the vertical ionization energies of valence electrons of both the sol
83 CH(3)OO has been measured, and an adiabatic ionization energy of (10.33 +/- 0.05) eV was determined
85 culations, suggest a state-to-state vertical ionization energy of 11.70 +/- 0.05 eV between the C(3)(
86 e increase of n-type conductivity with donor ionization energy of 20 meV and resistivity of 10(-4) Om
88 B fiber was chosen for the extraction and an ionization energy of 30 eV permitted to optimize the ana
89 t3)6 has a closed electronic shell and a low ionization energy of 4.74 eV, and the successive replace
90 ctivity was switched to p-type with acceptor ionization energy of 42 meV by altering hydrogen incorpo
93 hotoluminescence spectroscopy revealed an Mg ionization energy of about 100 meV, which agrees quite w
95 tronic structure calculations determined the ionization energy of Br(2)Y to be ~8.3 +/- 0.1 eV and fu
98 nlikely because the (experimental) adiabatic ionization energy of DMDS is almost 3 eV greater than th
99 display the changes in the work function and ionization energy of GO, supporting the functionalizatio
100 +/- 2.8 kcal mol(-1)) was combined with the ionization energy of hydrogen (313.6 kcal mol(-1)) to af
102 e in the range from 8 to 16 eV, based on the ionization energy of nitrogen and the measurements of tu
103 emission temperatures (4,000-15,000 K); the ionization energy of O2 is more than twice its bond diss
105 cesium atom (which has the lowest gas-phase ionization energy of the elements) or of any other known
106 roscopy, we directly determine the adiabatic ionization energy of the first triplet state of phenyliu
107 ation can be tuned to an energy close to the ionization energy of the sample molecules, thus minimizi
108 r semiconductor electrodes, we find that the ionization energy of the surface dopant can serve as a g
110 hich has been determined to have a gas-phase ionization energy (onset, 3.51 electron volts) lower tha
111 ate)4 paddlewheel structures show record low ionization energies (onsets at 3.4 to 3.5 eV) and very n
112 clusters to become electron donors with low ionization energies or electron acceptors with high elec
113 ation of sulphur hexafluoride, SF(6), in the ionization energy range from threshold up to 48.4 eV has
116 xyguanosine 5'-monophosphate at a much lower ionization energy than the other three mononucleotides.
117 The results show that the shift to lower ionization energy that is expected with this substitutio
120 ions show the correlation from the gas-phase ionization energies to the solution redox potentials and
122 asingly common technique to measure vertical ionization energies (VIEs) of aqueous solutes, but the i
123 n DNA depend on accurate values for vertical ionization energies (VIEs), reorganization energies, and
125 y surface hopping calculations, and the core ionization energies were calculated for geometries sampl
127 -dCMP- and 5'-dTMP-, a comparison of aqueous ionization energies with gas-phase ionization potentials