ライフサイエンスコーパス: electron affinity

1 combination of the surface band bending and electron affinity.

2 basis sets in an effort to bracket the true electron affinity.

3 ced through the use of amphiphiles with high electron affinity.

4 cts to, organic semiconductors with very low electron affinity.

5 al structure of Au(20), which has a very low electron affinity.

6 es low enough to localize in regions of high electron affinity.

7 relevant monoradicals with similar vertical electron affinities.

8 potentials and associated high excited-state electron affinities.

9 t a comprehensive tabulation of experimental electron affinities.

10 ated versus experiment for the prediction of electron affinities.

11 potential of Cpd-I analogues and calculated electron affinities.

12 itation energies, ionization potentials, and electron affinities.

13 ecular orbital (LUMO) energies and adiabatic electron affinities.

14 in localized absorption maxima and increased electron affinities.

15 with experimental ionization potentials and electron affinities.

16 ecule opposingly pairs negative and positive electron affinities.

17 ized by choosing specific ligands with large electron affinities.

18 This value is an enormous increase over the electron affinity (0.60 eV) of the closed-shell G-C base

19 The calculated electron affinities, 0.41 eV (n = 0), 1.51 eV (n = 1), 1

20 G and A have lower electron affinity (1.8-2.2 eV), blocking electrons but a

21 cient photocathode materials with a negative electron affinity(11,12).

22 C, T, and U have higher electron affinities (2.6-3.0 eV), transporting electrons

23 ds to the radical with the largest adiabatic electron affinity, 3.65 eV.

24 Reported here is a new high electron affinity acceptor end group for organic semicon

25 The "electron affinity/acidity/CBS" cycle yields Delta(f)H(29

26 The adiabatic electron affinity (AEA) for the Watson-Crick guanine-cyt

27 rous model heme energies yields an adiabatic electron affinity (AEA) of 5.24 eV, and the low-spin AEA

28 Adiabatic electron affinities (AEAs) for the DNA and RNA bases are

29 The adiabatic electron affinities (AEAs), vertical electron affinities

30 Solid-state electron affinities and ionization potentials of these s

31 nHn+2 (5 <or= n <or= 8) have small adiabatic electron affinities and large HOMO-LUMO gaps (ranging fr

32 Very high electron affinities and large HOMO-LUMO gaps are observe

33 yield similar spectra, both possessing lower electron affinities and larger HOMO-LUMO gaps relative t

34 Here we show that beyond differences in electron affinities and polar effects, a key parameter d

35 is supported by the theoretically calculated electron affinities and reduction potentials of [-P-S-S-

36 irst step of the reaction while the vertical electron affinities and spin-spin coupling of the neutra

37 PPCN2Vs, with their high electron affinities and structural versatility, seem ide

38 The measured electron affinities and the energy gaps are compared wit

39 The ground-state bands yield electron affinities and vibrational frequencies for seve

40 closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potentia

41 ificantly exceed photon energy, band gap and electron affinity and can dominantly drive absorption, r

42 ibutions, electronic absorption spectra, and electron affinity and compared with the results for rela

43 rated to correlate to the combination of the electron affinity and electronegativity of doping elemen

44 their electronic properties, achieving high electron affinity and good chemical stability enabled by

45 with hydroxymethyl radical as well as on the electron affinity and ionization potential.

46 Oligomers of TDO were designed to increase electron affinity and maintain delocalized frontier orbi

47 rties (i.e. work function of the electrodes, electron affinity and permittivity of the insulator) are

48 ontrolled by leveraging differences in anion electron affinity and sizes.

49 to GaAs (100) results in changes of both the electron affinity and surface potential of the semicondu

50 inity is negatively correlated with compound electron affinity and the number of hydrogen bond donors

51 The adiabatic electron affinity and vertical detachment energy are mea

52 halpies of formation, basicities, proton and electron affinities, and adiabatic ionization enthalpies

53 halpies of formation, ionization potentials, electron affinities, and band gaps of finite-length [5,5

54 structurally similar acceptors with similar electron affinities, and blending with a donor polymer i

55 Acidities, electron affinities, and bond dissociation energies are

56 The optimized geometries, adiabatic electron affinities, and IR-active vibrational frequenci

57 chemical shifts (NICS), ionization energies, electron affinities, and PCET energy profiles of selecte

58 issociation energies, ionization potentials, electron affinities, and spin multiplicities across the

59 n heats of formation, ionization potentials, electron affinities, and total atomic energies [over the

60 s have a planar structure, a reasonably high electron affinity, and a rigid and extended delocalized

61 lations and derive the ionization potential, electron affinity, and conceptual Density Functional The

62 e dielectrics, we calculate the band gap and electron affinity, and estimate the leakage current thro

63 Hexachlorocyclohexadienone has a significant electron affinity, and its radical anion expels chloride

64 t has its own discrete ionization potential, electron affinity, and optical band gap which provides a

65 ms of the synergy between closed shell, high electron affinity, and size and predicts new highly-char

66 These electron affinities are as much as 0.4 eV higher than th

67 The electron affinities are compared to PCBM, a C(60) based

68 with the ligands F, BO(2), and AuF(6), whose electron affinities are progressively higher (3.4, 4.5,

69 Bond energies, acidities, and electron affinities are related in a thermodynamic cycle

70 ar n-dopants suitable for materials with low electron affinity are still elusive.

71 r n-doping electron-transport materials with electron affinities as small as 2.8 eV.

72 Both the model and the data suggest that electron affinities associated with the anionic reagents

73 Theoretical evaluation of the electron affinities, basicities, and H-atom transfer kin

74 for the quantity bond dissociation energy - electron affinity (BDE - EA) estimated to be 0.6 and 1.0

75 es for calculating ionization potentials and electron affinities, but fails for solids due to the ext

76 ed to increase the ionization potentials and electron affinities by approximately 1 eV, which is expe

77 uence fused to cyclopentadiene increases the electron affinity by 0.15-0.65 eV: the most reliable pre

78 adjustment of electronic properties, such as electron affinities, by thorough choice of the aromatic

79 tems using adiabatic ionization energies and electron affinities calculated from neutral and cation g

80 ment from the constituent work functions and electron affinities can enhance device functionality.

81 made of the geometric parameters, adiabatic electron affinities, charge distributions based on natur

82 rs display appealing properties such as high electron affinity, charge-transport upon n-doping, and o

83 However, the ionization potential, electron affinity, chemical hardness, and relative energ

84 low ionization energy Co6Te8(PEt3)6 and high electron affinity Co6Te8(CO)6 have closed electronic she

85 ich is even greater than that of C60, and an electron affinity comparable with that of C60.

86 th substrates, due to a substantially larger electron affinity compared with the iron(IV)-oxo species

87 y, optical data and ionization potential and electron affinity data were utilized to estimate the bin

88 This porphyrin-like complex has a high electron affinity [E1/2 (red.) approximately = -0.08 V v

89 trochemical measurements we determined their electron affinity EA = -4.8 eV, indicating the possibili

90 Precise values for the electron affinity EA = 12468.9(1) cm(-1), dipole binding

91 t the expected exponential dependence on the electron affinity EA is evident only vaguely.

92 ive ion photoelectron spectroscopy to obtain electron affinities (EA) and tandem flowing afterglow-se

93 icals (with the greatest calculated vertical electron affinities (EA) at the radical site) also react

94 n efficiencies and the (calculated) vertical electron affinities (EA) of the aryl radicals.

95 unoccupied molecular orbital (LUMO) and the electron affinities (EA) of the molecules.

96 The electron affinities (EA), spin-orbit (SO) splittings, an

97 lectron spectroscopy was used to extract the electron affinity (EA = 3.034 eV) and spin-orbit splitti

98 A plot of electron affinity (EA) and ionization potential (IP) ver

99 From the NIPE spectra, the electron affinity (EA) and the singlet-triplet energy ga

100 ined for AlB(6)(-), resulting in an accurate electron affinity (EA) for AlB(6) of 2.49 +/- 0.03 eV.

101 ce dependence of silicon substitution on the electron affinity (EA) of carbon radicals has been studi

102 fluences the WF, ionization energy (IE), and electron affinity (EA) of n = 1 Sn- and Pb-based LHPs wi

103 computed the gas-phase energies for HAT and electron affinity (EA) of NACs and established HAT- and

104 es of SO(3)(-) and determined accurately the electron affinity (EA) of SO(3) and the bond dissociatio

105 d occurs at 1.0 eV, which corresponds to the electron affinity (EA) of U(2), whereas the vertical det

106 rder a > b > c, which is consistent with the electron affinity (EA) ordering of the radicals.

107 ppropriate redox (ionization potential (IP), electron affinity (EA)), electronic (charge carrier mobi

108 The electron affinity (EA), the energy released when a neutr

109 sfer dissociation (ETD) of doubly protonated electron affinity (EA)-tuned peptides were studied to fu

110 g the chemical behavior of an element is the electron affinity (EA).

111 which can be characterized by the radical's electron affinity (EA).

112 to its neutral counterpart having a negative electron affinity (EA).

113 radiation was used to measure the adiabatic electron affinities: EA[CH(3)OO, X(2)A' '] = 1.161 +/- 0

114 d shell with large HOMO-LUMO gaps, and their electron affinities (EAs) are measured to be 3.33 and 3.

115 wo isomers were observed experimentally with electron affinities (EAs) of 1.3147(8) and 1.937(4) eV.

116 hreshold spectra we are able to reassign the electron affinities (EAs) of cis- and trans-HOCO to 1.51

117 Direct experimental determination of precise electron affinities (EAs) of lanthanides is a longstandi

118 Electron affinities (EAs) of the corresponding lactone e

119 Adiabatic electron affinities (EAs) of the thiolate monoradicals o

120 In particular, they exhibited electron affinities (EAs) ranging from -3.06 to -3.83 eV

121 ential step exhibits properties analogous to electron affinity effects.

122 We propose that radicals with high electron affinity elicit arene-to-radical charge transfe

123 ly predicts a substantial positive adiabatic electron affinity for the GC pair (e.g., TZ2P++/B3LYP: +

124 The predicted electron affinities form a remarkably regular sequence:

125 The predicted electron affinities form a remarkably regular sequence:

126 Almost all NDIs possess high electron affinity, good charge carrier mobility, and exc

127 hat are air stable and capable of doping low-electron-affinity host materials in organic devices.

128 e related monoradicals with similar vertical electron affinities (i.e., similar polar effects).

129 Furthermore, we calculate adiabatic electron affinities in aqueous solvent for CO(2), Py, an

130 The zero-point corrected adiabatic electron affinities in eV for each of the 2'-deoxyribonu

131 mately for the first direct determination of electron affinities in superheavy elements.

132 unctional theory calculations, which predict electron affinities in the 2.8-2.4 eV range for the (H(2

133 ition of fluorine substituents creates large electron affinities in the range 2.5-5.5 eV and HOMO-LUM

134 n-extended pyridine derivatives show higher electron affinities in the range of acceptor substituted

135 band gap, the ionization potential, and the electron affinity in good agreement with experiment and

136 ecrease in ionization energy and increase in electron affinity in the solid state are related to the

137 The electron affinities increase with expanding ring size un

138 s to use adiabatic ionization potentials and electron affinities instead of vertical potentials and a

139 Its low electron affinity is consistent with filled subshell and

140 substrate and the grafted molecules, whereas electron affinity is dependent on the dipole moment of t

141 l3CN- is observed, and a lower limit for its electron affinity is estimated to be 0.3 eV.

142 ttle change in both ionization potential and electron affinity is found in this series of NCs by theo

143 The increase in electron affinity is larger for electron-rich quinones t

144 Provided the electron affinity is not too high, the Franck-Condon fac

145 Moreover, the electron affinity is used as a simple descriptor to make

146 ted excess electron is found to reside in an electron affinity level residing near the metal surface.

147 In the high temperature regime, the electron affinity level solvates by 540 meV at 350 K, an

148 -1.39 to -1.58 V (versus SCE) and estimated electron affinities (LUMO levels) of 2.90-3.10 eV.

149 followed by electron transfer to the higher electron affinity material (acceptor) [i.e., photoinduce

150 is indicative of diamondoids being negative electron affinity materials.

151 so consistent with the positive experimental electron affinities obtained by photoelectron spectrosco

152 The electron affinities of (EC)nLi+(VC) (n = 0-3) monotonica

153 s set limit were used to calculate the first electron affinities of Al(n)(), n = 0-4.

154 Analysis of the spectra provides electron affinities of CH(3) (0.093(3) eV) and CD(3) (0.

155 The adiabatic electron affinities of cyclopentadiene and 10 associated

156 finities of all three radical anions and the electron affinities of o- and m-benzoquinone.

157 Electron affinities of o- and p-quinoniminyl radicals ar

158 Therefore, the calculated vertical electron affinities of relevant monoradicals can be used

159 arying the degree of pi-conjugation or using electron affinities of the aryl cores which include fluo

160 atic ionization potentials of the anions and electron affinities of the cations, enable reliable stab

161 As the difference between the electron affinities of the co-monomers in the repeating

162 ments suggest that a large difference in the electron affinities of the co-monomers of the polymers c

163 affected mainly by the (calculated) vertical electron affinities of the dehydrocarbon sites, which su

164 Predicted electron affinities of the hydrocarbon radicals using th

165 Analogous electron affinities of the perflurocarbon radicals are 2

166 Like the PAHs, the electron affinities of the present systems generally inc

167 s the calculated (B3LYP/6-31+G(d)) adiabatic electron affinities of the radical model systems (ammoni

168 ity trends match the trend in the calculated electron affinities of the radicals.

169 The adiabatic electron affinities of the supermolecule Li(+)(EC)n (n =

170 3 eV greater than the (calculated) adiabatic electron affinities of the triradicals.

171 rent terminal groups that correlate with the electron affinities of these groups were observed.

172 e, with separated six-membered rings, has an electron affinity of -0.07 eV.

173 have a zero-point energy corrected adiabatic electron affinity of 0.13 eV.

174 nt energy of 2.38 eV, but a modest adiabatic electron affinity of 0.33 eV.

175 An experimental measurement of the electron affinity of 1-phenylcyclopropyl radical (EA = 1

176 The electron affinity of 3,3-dimethylcyclopropenyl radical (

177 The electron affinity of 3-tert-butyl-1-bicyclo[1.1.1]pentyl

178 The last two measurements, the electron affinity of 5-chloro-m-benzyne, and the thresho

179 states with the CCSD(T) values of adiabatic electron affinity of 65 and 36 meV, respectively.

180 With an electron affinity of approximately -3.7 eV, the two isom

181 The electron affinity of Ce(2) is 0.24 eV, from which a diss

182 trum of the (CO)5(*-) radical anion gives an electron affinity of EA = 3.830 eV for formation of the

183 respondence with the more favorable vertical electron affinity of H(+) and the lowered vertical ioniz

184 DCCCD- photoelectron spectra, we measure the electron affinity of HCCCH to be 1.156 +/- (0.095)(0.010

185 The adiabatic electron affinity of its quasi-bound (3)Sigma(g)(-) stat

186 The electron affinity of MBQ is determined from the first re

187 The electron affinity of TCNB is accurately measured as 2.46

188 loss (0.83 +/- 0.07 eV) is combined with the electron affinity of the 5-chloromethyl-m-xylylene birad

189 zation potential of the donor (I(D)) and the electron affinity of the acceptor (E(A)).

190 pared to investigate the effect of increased electron affinity of the aromatic system on the ability

191 uantity DeltaD/DeltaE0,0 correlates with the electron affinity of the bases (G < A < C < U approximat

192 ituent is obtained from its influence on the electron affinity of the charged radical, as the calcula

193 rrection for a small systematic error in the electron affinity of the chlorine atom, theoretical pred

194 The electron affinity of the compound, determined via invers

195 e particles' high defect density and the low electron affinity of the diamond surface.

196 ionisation potentials and, importantly, the electron affinity of the dopant.

197 l characteristics of the ISP, likely through electron affinity of the interacting atom and the geomet

198 s in vertical ionization energy and vertical electron affinity of the ions, to create OH(*) and H(*)

199 rature photoelectron spectroscopy showed the electron affinity of the major isomer (shown) exceeds th

200 and bulk properties, we set out to vary the electron affinity of the molecular backbone.

201 nitrated peptides is inhibited by the large electron affinity of the nitro group, while CID efficien

202 iple fullerenes was observed to increase the electron affinity of the overall cluster, providing a no

203 molecules is governed by competition between electron affinity of the physisorbed (triplet) O2 and ba

204 The presence of the donor enhances the electron affinity of the quinone.

205 The larger the electron affinity of the radical, the higher the overall

206 The theoretical electron affinity of the resulting molecule, isoindene,

207 band gap while para substitution raises the electron affinity of the system.

208 The electron affinity of the uracil radical is measured accu

209 his trapping is associated with the negative electron affinity of these materials and is unusual as t

210 ine labeling protocols, the knowledge of the electron affinity of this element is of prime importance

211 SIMS appeared strongly dependent on the high electron affinity of this specific analyte and the analy

212 d a value of EA = 4.025 +/- 0.010 eV for the electron affinity of TOTMB.

213 ts suggest that an estimate of the adiabatic electron affinity of water could be obtained from measur

214 y of RX and its Tolman cone angle theta, the electron affinity of X, the radical stabilization energy

215 Adiabatic electron affinities, optimized molecular geometries, and

216 The rates did not correlate well with electron affinities or dissociation energies obtained by

217 curate enthalpies of formation and adiabatic electron affinities or ionization potentials for N3, N3-

218 on electrodes, except for a few special high-electron-affinity or low-bandgap organic semiconductors.

219 nd rutile with anatase possessing the higher electron affinity, or work function.

220 ethane-1,2-dithiolene] (Mo(tfd)(3)), a high electron-affinity organometallic complex that constitute

221 trast to other photocathodes with a positive electron affinity, our SrTiO(3) surface produces, at roo

222 Its characterization includes its electron affinity, photoelectron spectrum, and the previ

223 eparated ion pairs, M(+)1, possessing larger electron affinities (q/r), and associated with larger k(

224 Relative energies, adiabatic electron affinities (ranging from 1.93 to 3.65 eV), and

225 ow that, under these conditions, the highest electron affinity replaces the traditional lowest total

226 Of these parameters, electron affinity represents a robust single-parameter p

227 The predicted electron affinities show that only the cyclopropyl radic

228 Ranking according to the substrate's electron affinity shows that inhibition is manifested fo

229 coefficient of proportionality linked to its electron affinity (stability of anionic fragments).

230 ining alkyl-substituted pyridines show lower electron affinities than the known parent compound, bora

231 alytes of lower gas-phase basicity or higher electron affinity than O2.

232 Additionally, Lu3N@PC80BEH has a lower electron affinity than standard fullerenes, which can ra

233 riables used in the model were the predicted electron affinity, the predicted ionization potential, t

234 cores (N-N) resulted in progressively larger electron affinities, thereby suggesting an increasingly

235 er can also be reduced by decreasing the ZnO electron affinity through Mg incorporation, leading to l

236 ai-conjugated polyelectrolytes that have low electron affinities, through a ground-state doping mecha

237 n fine structure spectroscopy, combined with electron affinity time-dependent density functional theo

238 one, which has a sufficiently large solution electron affinity to extract an electron from the solven

239 gh charge transport control, following their electron affinity trend: G < A < C < T < U.

240 75 % (P-75) resulted in progressively larger electron affinities (up to 4.37 eV), suggesting a more f

241 Instead, the rates reflect the radicals' electron affinities used as a measure for their ability

242 ion energies or electron acceptors with high electron affinities usually requires changing the valenc

243 Furthermore, dramatic increases in adiabatic electron affinity values observed at n = 10 for the Ln(I

244 iabatic electron affinities (AEAs), vertical electron affinities (VEAs), and vertical detachment ener

245 The optimized geometries, adiabatic electron affinities, vertical electron affinities, verti

246 ies, adiabatic electron affinities, vertical electron affinities, vertical electron detachment energi

247 - H](-)), whereas compounds having positive electron affinity were ionized by a charge exchange reac

248 The direct IPES measurements of electron affinity were then used to assess alternative e

249 of a low-lying LUMO in 3a gives rise to high electron affinity which, in turn, creates an electronica

250 g substituent tailorability, and appropriate electron affinity with gratifying results.

251 the four molecules are correlated with their electron affinities, with the trifluoroacetamide group a