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1 nomers in the repeating units decreases, the highest occupied and lowest unoccupied molecular orbital
2 injection and hole injection-related to the highest occupied and lowest unoccupied molecular orbital
3 uidelines requires only the knowledge of the highest occupied and lowest unoccupied orbital of the mo
4 ients and decreasing energy gaps between the highest occupied and lowest unoccupied orbitals (i.e., E
5 suggest an emerging optical gap between the highest occupied and lowest unoccupied orbitals in the n
6 pic data showing an emerging gap between the highest occupied and lowest unoccupied orbitals of 0.4 t
7 s and transient absorption spectroscopy, the highest occupied and lowest unoccupied orbitals of NH2-M
9 e a deep-red color due to penetration of the highest occupied catechol levels into the band gap of th
10 of 3, 5, 7, 9, and 10 suggest that it is the highest occupied delocalized pi-MO of 3 that is primaril
11 sting hole in the density of states near the highest occupied electronic levels of what might be comp
12 extent by the energy difference between the highest occupied energy level (HOMO) of the metal and th
13 espect to the Fermi level (the energy of the highest occupied level in the electronic system), but co
14 rroborated by DFT calculations show that the highest occupied MO of ZCPh+* has little spin (charge) d
15 ide, the decreased shielding arises from the highest occupied MO, which is a nonbonding linear combin
16 -)), pKas of the amines, and energies of the highest occupied molecular orbital (EHOMO)] to specific
19 result of lowering the energies of both the highest occupied molecular orbital (HOMO) and lowest uno
20 lectronic shells and a large gap between the highest occupied molecular orbital (HOMO) and the lowest
21 from the electrostatic dislocation of indole highest occupied molecular orbital (HOMO) charge density
24 Compared to NFBDT, NCBDT exhibits upshifted highest occupied molecular orbital (HOMO) energy level m
25 free ligand) is qualitatively related to the highest occupied molecular orbital (HOMO) energy levels
26 bly reduced anionic species suggest that the highest occupied molecular orbital (HOMO) has mixed meta
27 s: the incipient doped surface-H(2) adduct's highest occupied molecular orbital (HOMO) incorporates t
28 unit in these copolymers to provide a deeper highest occupied molecular orbital (HOMO) level for obta
29 sitivity is further enhanced by lowering the highest occupied molecular orbital (HOMO) level of the n
30 cause a reduction of the band gap, a higher highest occupied molecular orbital (HOMO) level, a lower
31 high value is explained by the nature of the highest occupied molecular orbital (HOMO) localized on t
32 it from an exciplex state formed between the highest occupied molecular orbital (HOMO) of N,N'-bis(1-
33 On the basis of computational studies, the highest occupied molecular orbital (HOMO) of this ligand
34 rst appearing on an aromatic ring (i.e., the highest occupied molecular orbital (HOMO) or HOMO-n (n >
35 ar electronic states energetically below the highest occupied molecular orbital (HOMO) should contrib
36 itably chosen mutants provided a test of the highest occupied molecular orbital (HOMO) wave function
37 onating ligands, the metal-metal bond is the highest occupied molecular orbital (HOMO) with a "bent"
38 th nonradical units rectify currents via the highest occupied molecular orbital (HOMO) with a rectifi
39 of the electron density distribution of the highest occupied molecular orbital (HOMO), for the chlor
40 the pi component of which contributes to the highest occupied molecular orbital (HOMO)-with a Ge-cent
41 Ag/O2C interface, this system decouples the highest occupied molecular orbital (HOMO, which is local
42 challenging because the high energy of their highest occupied molecular orbital and low energy of the
43 gned to possess a high hole mobility and low highest occupied molecular orbital and lowest unoccupied
44 rence between electron transport through the highest occupied molecular orbital and the lowest unoccu
45 guration with a large energy gap between the highest occupied molecular orbital and the lowest unoccu
46 lecule is expected to have a gap between the highest occupied molecular orbital and the lowest unoccu
47 nic's lowest unoccupied molecular orbital or highest occupied molecular orbital but can be explained
51 flecting the electron density contour of the highest occupied molecular orbital exhibited four bright
52 ipole decreases and the average value of the highest occupied molecular orbital for each water molecu
53 tructure calculations that indicate that the highest occupied molecular orbital is more disperse in t
54 etween P3HT and PEHTPPD-BT components in the highest occupied molecular orbital is proposed as a majo
55 cinity of the anthracenes indicates that the highest occupied molecular orbital is the predominant me
57 bulk heterojunction exhibit almost the same highest occupied molecular orbital level, yet exhibit ve
58 ness of catalysts against hydration with the highest occupied molecular orbital levels of a set of li
59 t general anesthetics perturb and extend the highest occupied molecular orbital of a nine-residue alp
60 antitative estimate for the alignment of the highest occupied molecular orbital of cyclopentene with
63 ed on the fullerene cage, in contrast to the highest occupied molecular orbital of the Sc(3)N@I(h)-C(
65 his finding to a strain-induced shift of the highest occupied molecular orbital towards the Fermi lev
66 tion bands that correspond to an alpha-homo (highest occupied molecular orbital) to alpha-lumo (lowes
67 (+), (LUMO)(T), falls in the gap between the highest occupied molecular orbital, (HOMO)(D), and the (
68 with charge transport primarily through the highest occupied molecular orbital, as shown by our comp
69 ehavior is attributed to the position of the highest occupied molecular orbital, which dwells in a re
70 tion energies, proton transfer energies, and highest occupied molecular orbital-lowest unoccupied mol
71 ectral range into the near infrared, and low highest occupied molecular orbital-lowest unoccupied mol
72 SCE in THF, which is consitent with the wide highest occupied molecular orbital-lowest unoccupied mol
77 tional theory calculations revealed that the highest occupied molecular orbitals (HOMOs) are localize
78 the finding of strong delocalization of the highest occupied molecular orbitals of GC by theoretical
79 The symmetry of the lowest unoccupied and highest occupied molecular orbitals of PDI results in si
80 consistent with field-induced ionization of highest occupied molecular orbitals or interface states
81 tive energies of the porphyrin versus linker highest occupied molecular orbitals strongly influence t
82 ing from moderate to high (59-98 meV for the highest occupied molecular orbitals, 63-97 meV for the l
83 tatively with two independent variables: the highest-occupied molecular orbital energy (E(HOMO)) defi
84 ynthetic investigations demonstrate that the highest-occupied molecular orbitals of the mono- and dia
86 he molecular formula to tailor the frontier (highest occupied or lowest unoccupied) molecular orbital
89 esults in a less than optimal overlap of the highest occupied orbital of the ligand with the lowest u
92 lized inside the silsesquioxane cage and the highest occupied state (pi state on stilbene), however,
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