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1 5)N(-)) and extracted accurate values of the hyperfine and quadrupole couplings of both CN(-) and adt
3 spectroscopy, including relaxation-filtered hyperfine and single-matched resonance transfer (SMART)
6 ation (DNP) at or near room temperature, but hyperfine broadening, susceptibility to magnetic field h
11 ein, it is demonstrated that (203)Tl/(205)Tl hyperfine "clocks" are greatly superior to those provide
12 osition, wherein (1)H and (14)N serve as the hyperfine "clocks", and in arrays containing site-specif
14 rly equal population, one nearly axial, with hyperfine constant A parallel = 98 x 10(-4) cm(-1), and
15 experiments allowed the determination of the hyperfine constants ((17)O)A(z) = 10 MHz for [Fe(IV)H(3)
16 brid DFT calculations providing the separate hyperfine contributions of all distinct Mn-O-P and Fe-O-
21 FT calculations demonstrate that the lithium hyperfine coupling A((7)Li) in [Li(+){(+/-)-1(*-)}] is v
23 m which (17)O ENDOR showed a smaller 3.8 MHz hyperfine coupling and possible quadrupole splittings, i
24 using density functional theory of the (14)N hyperfine coupling and quadrupole coupling constants rep
25 y large gzz value of 2.44 and a small copper hyperfine coupling Azz of 40 x 10(-4) cm(-1) (120 MHz).
26 gely a type 1 copper protein at low pH (with hyperfine coupling constant A( parallel) = 54 x 10(-4) c
28 isotropic signal with a g value of 2.003 and hyperfine coupling constant of 8 x 10(-4) cm(-1) to the
29 t polarity constant E(T)(N) and the nitrogen hyperfine coupling constant of the released nitroxide a(
30 Assuming a free-ion value for the Pu(4+) hyperfine coupling constant, we estimated a bare (239)ga
31 indicate that electron spin resonance (ESR) hyperfine coupling constants (aH values) computed at the
34 ons of molecular spin-orbitals (MSOs) to the hyperfine coupling constants and the spatial distributio
36 C isotope shifts in the IR spectra and (13)C hyperfine coupling constants in the EPR spectra exhibit
37 pectroscopy revealed a 9-line spectrum, with hyperfine coupling constants indicative of four almost m
38 an S = 3 ground state with isotropic (55)Mn hyperfine coupling constants of -75, -88, -91, and 66 MH
39 n of the cluster is highly anisotropic, with hyperfine coupling constants of 9.1 and 2 x 33.3 G for t
41 stretching frequency and the imidazole (14)N hyperfine coupling constants show a good correlation wit
42 The Sc-based hyperfine structure with large hyperfine coupling constants shows that both oxidation a
43 troxides which exhibit a change in their EPR hyperfine coupling constants upon enzymatic activity and
44 erved radicals, muon, proton, and phosphorus hyperfine coupling constants were determined by muSR and
45 Following DFT calculations, the predicted hyperfine coupling constants were used to simulate the E
46 in the ligand moiety and the (13)C isotropic hyperfine coupling constants, Aiso((13)C), for the indiv
47 agreement with the observed g values, ligand hyperfine coupling constants, and FTIR stretching freque
48 ance for predicting NMR chemical shifts, EPR hyperfine coupling constants, and low-energy transitions
49 ble-temperature magnetic susceptibility, EPR hyperfine coupling constants, and the results of X-ray c
50 et constraints on the relative amplitudes of hyperfine coupling constants, both for protons at chemic
52 ding affinity, perturb and diminish the 14NO hyperfine coupling determined by ENDOR (electron nuclear
55 ) substitution and that the isotropic (95)Mo hyperfine coupling in E(4) is a(iso) approximately 4 MHz
57 Here we report the observation of a (57)Fe hyperfine coupling interaction with the paramagnetic sig
58 Furthermore, a single exchangeable proton hyperfine coupling is resolved, both by comparing the HY
59 rted again by EPR and ENDOR results (a (13)C hyperfine coupling of approximately 7 MHz), as well as l
61 se EPR data reveal an exchangeable deuterium hyperfine coupling of strength |T| = 0.7 MHz, but no str
62 sotope incorporation and in the (17)O mu-oxo hyperfine coupling of the di-mu-oxo di-Mn(III,IV) bipyri
64 ng from a manifold of states produced by the hyperfine coupling of the S = (1/2) electron spin and I
65 ganic semiconductors have been attributed to hyperfine coupling of the spins of the charge carriers a
70 n going from high pH to low pH, a seven-line hyperfine coupling pattern associated with complete delo
71 ination intensity, frequency sweep rate, and hyperfine coupling strength leads to efficient, sweep-di
74 ic Cr(III), EPR (HYSCORE) spectroscopy shows hyperfine coupling to nitrogen only when the amide precu
75 amid relative to the other with strong super hyperfine coupling to one PMe3 and weak SHFC to the othe
77 tributed over the two iron atoms with strong hyperfine coupling to the bridging hydride (A(iso) = -75
78 ation, while the observation of an isotropic hyperfine coupling to the cation by ENDOR measurements e
80 irectly sensitive to the order parameter via hyperfine coupling to the electronic spin degrees of fre
82 enters, as indicated by the magnitude of the hyperfine coupling to the phosphine ligands trans to the
84 intermediate having a g-value of 2.0025 with hyperfine coupling to two spin 1/2 nuclei, each with a s
85 ar characteristics, i.e. a large anisotropic hyperfine coupling together with an almost zero isotropi
86 tion and pi back-donation, whereas the (13)C hyperfine coupling was rationalized by incongruent alpha
87 lope modulations of the Mn(2+) signal due to hyperfine coupling with protons outside the quantum dots
88 howed a (17)O hyperfine signal with a 11 MHz hyperfine coupling, tentatively assigned as mu-oxo-(17)O
92 d REcovery (PESTRE) protocol for determining hyperfine-coupling signs; and Raw-DATA (RD)-PESTRE, a PE
95 accessible spin states, and (55)Mn isotropic hyperfine couplings are computed with quantum chemical m
97 C owing to the fact that the (203)Tl/(205)Tl hyperfine couplings are much larger (15-25 G) than those
98 wed for the measurement of the corresponding hyperfine couplings associated with spin delocalization
100 tions of these three substrates by measuring hyperfine couplings between substrate deuterium atoms an
102 n polarization pattern and pronounced methyl hyperfine couplings characteristic of asymmetric H-bondi
105 determination of the signed isotropic (57)Fe hyperfine couplings for five of the seven iron sites of
106 mplementary similarity between the isotropic hyperfine couplings for the bridging hydrides in 3 and E
107 ble information about (1)H, (15)N, and (13)C hyperfine couplings for the Q(H) site and to describe th
108 mponents from two anisotropic beta-2'-F-atom hyperfine couplings identify the C3'* formation in one-e
111 ith phylloquinone, but the absence of methyl hyperfine couplings in the quinone contribution to the P
112 or the study of the (13)C methyl and methoxy hyperfine couplings in the semiquinone generated in the
113 mparison between calculated and experimental hyperfine couplings is performed where good agreement is
114 denced by (1)H, (2)H, and (13)C ENDOR, where hyperfine couplings of approximately 6 MHz for (13)C and
118 parameter D were observed, while the proton hyperfine couplings show no change in the extent of trip
119 s employed to clearly discriminate the (17)O hyperfine couplings that overlap with (14)N (I = 1) sign
121 nuclear double resonance data reveal similar hyperfine couplings to those of other Mn(IV) species, in
122 plitting parameter D and much smaller proton hyperfine couplings with respect to the monomeric unit,
124 owed us for the first time to determine weak hyperfine couplings with the side-chain nitrogens from a
125 with auxotrophs was used to characterize the hyperfine couplings with the side-chain nitrogens from r
126 provide quantitative characteristics of the hyperfine couplings with these nitrogens, which can be u
129 tate delocalization can be obtained from the hyperfine couplings, while interpretation of the zero-fi
136 ctra with partially resolved lines caused by hyperfine couplings; the differences between the couplin
138 (85)Rb) according to the placement of their hyperfine energy states in a two-dimensional spectrum.
139 a high-field EPR spectrum with well-resolved hyperfine features devoid of zero-field splitting, chara
140 nterstitial) can be assigned on the basis of hyperfine (Fermi contact) shifts and quadrupolar nutatio
141 these solutions which serves to modulate the hyperfine (Fermi-contact) interaction with nitrogen nucl
142 reased sensitivity to certain changes in the hyperfine field direction compared to non-mixing transit
145 acteristics that affect the electron-nuclear hyperfine field, the metallic shift, and magnetic order.
147 expected out-of-plane components of magnetic hyperfine fields and non-zero electric field gradients i
148 ng evidence that dynamical coupling with the hyperfine fields bring the electronic spins associated w
149 parameters within a working OLED: the local hyperfine fields for electron and hole in Alq(3): B(hf1)
150 spin-singlet and spin-triplet states due to hyperfine fields is suppressed by microwave driving.
154 of molecules occupying their rotational and hyperfine ground state is best described by second-order
157 nless nuclear, the materials have negligible hyperfine interaction (HFI) and the same intrinsic SOC,
159 der a small magnetic field due to their weak hyperfine interaction and slight difference of g-factor
161 that the RISC process is not governed by the hyperfine interaction as thought previously, but proceed
162 However, this advantage is offset by the hyperfine interaction between the electron spin and the
163 n metal-oxide-semiconductor quantum dots the hyperfine interaction is sufficient to initialize, read
165 n echo envelope modulation (ESEEM) from (2)H-hyperfine interaction with D2O is determined for stearic
166 MCR red2a state exhibits a very large proton hyperfine interaction with principal values A((1)H) = [-
167 he effective magnetic noise arising from the hyperfine interaction with uncontrolled nuclear spins in
169 ity in the 4f shell, manifest in the (171)Yb hyperfine interaction, and (iv) the principal values of
170 ulti-spin-qubit state under the influence of hyperfine interaction, and clearly demonstrate that the
171 r, as measured via the isotropic NN nitrogen hyperfine interaction, and the strength of the D --> A i
172 nto magnetic fields via the electron-nuclear hyperfine interaction, which severely affects nuclear co
173 ted by the lattice nuclear spins through the hyperfine interaction, while the dynamics of the single
180 These signals are broadened significantly by hyperfine interactions (A((17)O) approximately 180 MHz).
181 ) 2.00592, and g(z) 2.00230 and with altered hyperfine interactions (apparent triplet collapsed to a
182 coordinates predict experimentally observed hyperfine interactions and a shift in g values away from
183 m indicate two species, one containing two N hyperfine interactions and an additional broad signal wi
186 We investigate the effect of variations in hyperfine interactions between different copies of simpl
189 observe that the size of the spin-orbit and hyperfine interactions depends on the magnitude and dire
192 ontext of a model that involves exchange and hyperfine interactions in the spin triplet exciplex.
193 es of Hg lamp experiments is not a result of hyperfine interactions making predissociation of (17)O c
194 tetrapyrrolic arrays entails analysis of the hyperfine interactions observed in the electron paramagn
195 etrapyrrolic array relies on analysis of the hyperfine interactions observed in the EPR spectrum of t
198 omparison of the experimental (1)H and (17)O hyperfine interactions with those calculated using DFT h
199 -spin density at ligand nuclei (via the weak hyperfine interactions) in molecular thorium(III) and ur
200 To probe these protein-derived carboxylate hyperfine interactions, which give direct bonding inform
203 These observations suggest that each pair of hyperfine levels hosted within [V(C8S8)3](2-) are candid
204 d by the EPR spectra, which exhibit multiple hyperfine lines due to the coupling of the unpaired elec
206 alues for the polaron pair decay rate, local hyperfine magnetic field and triplet contribution to dis
207 for microscopic quantities such as the local hyperfine magnetic field, we have carried out actual fit
209 nents prevent the specific identification of hyperfine molecular information of different substances,
210 l small paramagnetic complexes combine large hyperfine NMR shifts with large magnetic anisotropies.
211 ectronic structure driving the variations in hyperfine parameters across the range of materials.
212 itrite, and an analysis of the resulting EPR hyperfine parameters confirms that mARC is remarkably si
214 upporting evidence for the assignment of the hyperfine parameters to Fe(II) bound to basal planes and
216 he low pH form and reveal that its four-line hyperfine pattern results from the large EPR spectral ef
219 as a highly compact g(z) area and small A(z) hyperfine principal value with g and A tensors that rese
220 tes, is well studied, but their influence on hyperfine quenching in a reactant molecule is not known.
223 gned to LiMn6-TM(tet) sites, specifically, a hyperfine shift related to a small fraction of re-entran
224 Co(II)-Bc in DMSO shows relatively sharper hyperfine-shifted (1)H NMR signals compared with the spe
226 o carry out comprehensive assignments of the hyperfine-shifted (13)C and (15)N signals of the rubredo
227 n as a quantum register and demonstrate that hyperfine-shifted resonances can be separated upon prope
229 on the basis of the correlations between Li hyperfine shifts and Li local structures, and two differ
230 so find interesting correlations between the hyperfine shifts and the bond and ring critical point pr
231 as well as the mean low-field bias of methyl hyperfine shifts and their paramagnetic relaxivity relat
232 olecules theory, in addition to finding that hyperfine shifts can be well-predicted by using an empir
233 )C and (1)H nuclear magnetic resonance (NMR) hyperfine shifts of heme aided by density functional the
234 s with large magnetic anisotropies and small hyperfine shifts, (7)Li shifts for typical LiFePO(4) mor
235 ents to provide both the H-bond strength and hyperfine shifts, the latter of which were used to quant
236 ltihour (17)O exchange, which showed a (17)O hyperfine signal with a 11 MHz hyperfine coupling, tenta
238 -fidelity single-shot optical readout of the hyperfine spin state of single (171)Yb(3+) ions coupled
241 an S = (1)/(2) EPR signal exhibiting (59)Co hyperfine splitting (A = 24 G) typical of a low-spin Co(
242 siological range from 6 to 8, the phosphorus hyperfine splitting acting as a convenient and highly se
245 susceptibility data and by the appearance of hyperfine splitting in the zero-field (5)(7)Fe Mossbauer
248 orientation of the principal axes of the 13C hyperfine splitting tensor shows that the long axis of t
249 d exchange interactions as well as the 1-13C hyperfine splitting tensor were analyzed via spectral si
250 oublet radical signal with an 11 G principal hyperfine splitting was detected within the first millis
251 bismuth, has a large zero-field ground state hyperfine splitting, comparable to that of rubidium, upo
253 pling interaction of TN biradicals, their g, hyperfine-splitting, and zero-field-splitting interactio
254 k absorption near 800 nm and narrow parallel hyperfine splittings in electron paramagnetic resonance
255 he so-called specific difference between the hyperfine splittings in hydrogen-like and lithium-like b
256 ng an S = 1/2 signal with clearly observable hyperfine splittings originated from the coupling of the
257 equation was developed for relating nuclear hyperfine splittings to electron spin distributions in f
258 rong pH-induced changes to the corresponding hyperfine splittings, Delta hfs approximately (300-1000)
260 esults is the use of different pairs of 9Be+ hyperfine states for robust qubit storage, readout, and
265 ESR spectra of the ion radicals have a rich hyperfine structure caused by two pairs of equivalent Sc
266 netic dipole and nuclear electric quadrupole hyperfine structure constants and level isotope shifts o
267 al and isotope shifts, while disagreement of hyperfine structure constants indicates an increased imp
269 ve been developed that enable studies of the hyperfine structure of antihydrogen-the antimatter count
271 er such phenomena persist in the presence of hyperfine structure, as exhibited by most quantum emitte
274 eable proton hyperfine couplings resolved in hyperfine sublevel correlation (HYSCORE) spectra of the
275 lectron-nuclear double resonance (ENDOR) and hyperfine sublevel correlation (HYSCORE) spectroscopies
276 on spin echo envelope modulation (ESEEM) and hyperfine sublevel correlation (HYSCORE) spectroscopy cl
280 n a bidentate fashion, which is confirmed by Hyperfine Sublevel Correlation (HYSCORE) spectroscopy.
281 ectron-nuclear double resonance (ENDOR), and hyperfine sublevel correlation (HYSCORE)) electron param
282 ve electron paramagnetic resonance (CW-EPR), hyperfine sublevel correlation (HYSCORE), and IR fingerp
283 UV-visible, electron paramagnetic resonance, hyperfine sublevel correlation (HYSCORE), and Mossbauer
285 We utilize high-resolution two-dimensional hyperfine sublevel correlation spectroscopy to directly
287 or ultracold atoms through the 'dressing' of hyperfine sublevels of the atomic ground state, where th
288 rincipal values and orientations of both the hyperfine tensor ((14)N, A(iso) = -6.25 MHz, T = -0.94 M
289 ear spin coupled to the FeMo cofactor with a hyperfine tensor A = [0.9, 1.4, 0.45] MHz establishing t
290 or two exchangeable protons with anisotropic hyperfine tensor components, T, both in the range 4.6-5.
291 bridge hyperfine tensor to the (14)N((15)N) hyperfine tensor of the D1-His332 ligand suggests that t
292 entation of the putative (17)O mu-oxo bridge hyperfine tensor to the (14)N((15)N) hyperfine tensor of
293 fferent spin density distributions and g and hyperfine tensors for different protonation states.
295 roscopy, the g tensor of the radical and the hyperfine tensors of several N and H nuclei in the radic
296 ata allow a detailed analysis of the dipolar hyperfine tensors of two of the four symmetry distinct p
297 is of the zero-field splittings and magnetic hyperfine tensors suggests that the dihedral O horizonta
299 easurements were performed on a ground-state hyperfine transition of europium ion dopants in yttrium
300 rotational manifold(1), a few gigahertz for hyperfine transitions, a few terahertz for rotational tr