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1 th a bandgap of 1.38 eV, high mobility, deep highest occupied molecular orbital.
2 s triggered by removing an electron from the highest occupied molecular orbital.
3 osahedral Au(13) core of the particle in the highest occupied molecular orbital.
4 l electron density in the relevant frontier (highest occupied) molecular orbital.
5 ing from moderate to high (59-98 meV for the highest occupied molecular orbitals, 63-97 meV for the l
6 challenging because the high energy of their highest occupied molecular orbital and low energy of the
7 gned to possess a high hole mobility and low highest occupied molecular orbital and lowest unoccupied
8 rence between electron transport through the highest occupied molecular orbital and the lowest unoccu
9 guration with a large energy gap between the highest occupied molecular orbital and the lowest unoccu
10 lecule is expected to have a gap between the highest occupied molecular orbital and the lowest unoccu
11 with charge transport primarily through the highest occupied molecular orbital, as shown by our comp
12 nic's lowest unoccupied molecular orbital or highest occupied molecular orbital but can be explained
13 -)), pKas of the amines, and energies of the highest occupied molecular orbital (EHOMO)] to specific
17 tatively with two independent variables: the highest-occupied molecular orbital energy (E(HOMO)) defi
18 flecting the electron density contour of the highest occupied molecular orbital exhibited four bright
19 ipole decreases and the average value of the highest occupied molecular orbital for each water molecu
22 result of lowering the energies of both the highest occupied molecular orbital (HOMO) and lowest uno
23 lectronic shells and a large gap between the highest occupied molecular orbital (HOMO) and the lowest
24 from the electrostatic dislocation of indole highest occupied molecular orbital (HOMO) charge density
27 Compared to NFBDT, NCBDT exhibits upshifted highest occupied molecular orbital (HOMO) energy level m
28 free ligand) is qualitatively related to the highest occupied molecular orbital (HOMO) energy levels
29 bly reduced anionic species suggest that the highest occupied molecular orbital (HOMO) has mixed meta
30 s: the incipient doped surface-H(2) adduct's highest occupied molecular orbital (HOMO) incorporates t
31 unit in these copolymers to provide a deeper highest occupied molecular orbital (HOMO) level for obta
32 sitivity is further enhanced by lowering the highest occupied molecular orbital (HOMO) level of the n
33 cause a reduction of the band gap, a higher highest occupied molecular orbital (HOMO) level, a lower
34 high value is explained by the nature of the highest occupied molecular orbital (HOMO) localized on t
35 it from an exciplex state formed between the highest occupied molecular orbital (HOMO) of N,N'-bis(1-
36 On the basis of computational studies, the highest occupied molecular orbital (HOMO) of this ligand
37 rst appearing on an aromatic ring (i.e., the highest occupied molecular orbital (HOMO) or HOMO-n (n >
38 ar electronic states energetically below the highest occupied molecular orbital (HOMO) should contrib
39 itably chosen mutants provided a test of the highest occupied molecular orbital (HOMO) wave function
40 onating ligands, the metal-metal bond is the highest occupied molecular orbital (HOMO) with a "bent"
41 th nonradical units rectify currents via the highest occupied molecular orbital (HOMO) with a rectifi
42 of the electron density distribution of the highest occupied molecular orbital (HOMO), for the chlor
43 the pi component of which contributes to the highest occupied molecular orbital (HOMO)-with a Ge-cent
44 Ag/O2C interface, this system decouples the highest occupied molecular orbital (HOMO, which is local
46 (+), (LUMO)(T), falls in the gap between the highest occupied molecular orbital, (HOMO)(D), and the (
47 tional theory calculations revealed that the highest occupied molecular orbitals (HOMOs) are localize
48 tructure calculations that indicate that the highest occupied molecular orbital is more disperse in t
49 etween P3HT and PEHTPPD-BT components in the highest occupied molecular orbital is proposed as a majo
50 cinity of the anthracenes indicates that the highest occupied molecular orbital is the predominant me
52 bulk heterojunction exhibit almost the same highest occupied molecular orbital level, yet exhibit ve
53 ness of catalysts against hydration with the highest occupied molecular orbital levels of a set of li
54 tion energies, proton transfer energies, and highest occupied molecular orbital-lowest unoccupied mol
55 ectral range into the near infrared, and low highest occupied molecular orbital-lowest unoccupied mol
56 SCE in THF, which is consitent with the wide highest occupied molecular orbital-lowest unoccupied mol
57 t general anesthetics perturb and extend the highest occupied molecular orbital of a nine-residue alp
58 antitative estimate for the alignment of the highest occupied molecular orbital of cyclopentene with
61 ed on the fullerene cage, in contrast to the highest occupied molecular orbital of the Sc(3)N@I(h)-C(
63 the finding of strong delocalization of the highest occupied molecular orbitals of GC by theoretical
64 The symmetry of the lowest unoccupied and highest occupied molecular orbitals of PDI results in si
65 ynthetic investigations demonstrate that the highest-occupied molecular orbitals of the mono- and dia
66 consistent with field-induced ionization of highest occupied molecular orbitals or interface states
67 tive energies of the porphyrin versus linker highest occupied molecular orbitals strongly influence t
68 tion bands that correspond to an alpha-homo (highest occupied molecular orbital) to alpha-lumo (lowes
69 his finding to a strain-induced shift of the highest occupied molecular orbital towards the Fermi lev
70 ehavior is attributed to the position of the highest occupied molecular orbital, which dwells in a re
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