ライフサイエンスコーパス: orbital

1 fer (CT) to the adsorbate antibonding sigma* orbital.

2 pairing potential of the [Formula: see text] orbital.

3 t uranium contribution being from f-d hybrid orbitals.

4 field wave function in terms of quasi-atomic orbitals.

5 in CH(4) from (2s)(2)(2p)(2) to sp(3) hybrid orbitals.

6 ontraction/expansion of the valence/semicore orbitals.

7 lence-orbitals vis-a-vis the filled semicore orbitals.

8 d short distances between adjacent molecular orbitals.

9 ysis based on absolutely localized molecular orbitals.

10 to the Dirac bands originating from the same orbitals.

11 d atomic metal sites have discrete molecular orbitals.

12 e diffuse Br valence orbitals relative to Cl orbitals.

13 ing participation from the uranium 5f and 6d orbitals.

14 on of the 4f orbitals with respect to the 5f orbitals(4).

15 Their symmetry under permutation of orbitals allows us to analytically compute topological p

16 Significant delocalization of the molecular orbitals along the bridge indicates that the bridging st

17 A framework based on molecular orbital analyses and the hard-soft acid-base (HSAB) theo

18 APT energy decomposition and natural bonding orbital analyses correlated with experimental data to re

19 ortion-interaction analysis and natural bond orbital analysis indicate that the interaction energy is

20 Natural bond orbital analysis, including natural Coulomb electrostati

21 Mes were examined by DFT and natural bonding orbital analysis.

22 he electron tunneling effect observed in the orbital analysis.

23 Furthermore, in >60% of cases, normal orbital anatomy is not restored, and skilled rehabilitat

24 Natural bond-orbital and block-localized wave-function energy decompo

25 n energy decomposition analyses suggest that orbital and electrostatic interactions play a major role

26 ection methods in lacrimal gland and primary orbital and ocular adnexal soft tissue tumors; reapprais

27 le external landmarks in order to facilitate orbital and oculoplastic surgical procedures in the maxi

28 ence/absence of a radial-node in the valence-orbital and relativistic contraction/expansion of the va

29 Density-functional theory (DFT) optimized orbital and stereochemical analyses shed light on the me

30 roximate "two-over-three" splitting of the d-orbitals and a high degree of metal-ligand covalency due

31 ion reduces the overlap of the Pb s- and I p-orbitals and increases the optical bandgap, while Pb-I-P

32 on presumes the formation of three molecular orbitals and is accordingly typically entitled as a thre

33 bed As(V) ions withdrew electrons from Ce 4f orbitals and likely became oxidizing agents that greatly

34 cupancy and orientation of the metal ion's d-orbitals and the resulting interaction between the metal

35 l gaps, the symmetry of the highest occupied orbital, and the adopted electronic state for reactive i

36 in the 5d(10) core approaches the valence 6s orbital, and the respective Pauli repulsion generates M-

37 clusters, which couples to the spin, atomic orbital, and valley magnetic moment of carriers from the

38 gaps, suitable energy levels of the frontier orbitals, and high intrinsic charge mobility.

39 namely atoms, valence electrons, bonds, and orbitals, and reciprocal space, namely bands and Fermi s

40 hase generate plasmonic waves with different orbital angular momenta.

41 of beam generation and propagation based on orbital angular momentum (OAM) have recently gained sign

42 The orbital angular momentum (OAM) intrinsically carried by

43 Applications that use the orbital angular momentum (OAM) of light show promise for

44 rcular polarization coupled to two different orbital angular momentum (OAM) values ([Formula: see tex

45 al band topology favours long-range order of orbital angular momentum but the spins are thought to re

46 apable of multiplexing up to 200 independent orbital angular momentum channels.

47 nherent and stable spin-orbit interaction of orbital angular momentum fiber modes, giant, scalable op

48 Thus far, orbital angular momentum holography has been achieved us

49 Here, we demonstrate an orbital angular momentum holography technology that is c

50 tracted by Fourier transform using different orbital angular momentum modes of light, allowing lensle

51 limitation, information can be stored in the orbital angular momentum of light, as this degree of fre

52 l of vorticity and its detection through the orbital angular momentum of the emitted light are implem

53 ams, are generalized forms of waves carrying orbital angular momentum with inhomogeneous states-of-po

54 at are high-dimensionally entangled in their orbital angular momentum.

55 mporal beams that combine these two forms of orbital-angular-momenta by coherently adding multiple fr

56 nsulator with broadband and high throughput, orbital-angular-momentum multiplexing at a high spectral

57 e band structure of BaCuAs using a molecular orbital approach to illustrate the structural origins of

58 -ligand (M-L) delta and phi bonds, the metal orbitals are aligned to the ligand orbitals in a "head-t

59 rength, low-lying states, in which molecular orbitals are delocalized over Chl(D1) and Phe(D1) as wel

60 o singly occupied local dx2-y2 type magnetic orbitals are oriented into the bimetallic cleft, enablin

61 ive a high-energy in-plane sigma-antibonding orbital as the highest occupied molecular orbital (HOMO)

62 These results indicate that orbital-by-orbital removal of self-interaction combined

63 based on utilization of either rotational or orbital CA.

64 ecular orbital compositions and natural bond orbital calculations suggest covalency and delocalizatio

65 by performing a small "two electrons in two orbitals" CASSCF(2,2) calculation which can be followed

66 d the posterior surface contour was based on orbital cavity geometry.

67 This switch in orbital character upon addition of chitin provides a bas

68 ctric-field control of magnetic states in an orbital Chern insulator(3-6), a magnetic system in which

69 spectroscopic evidence, Kohn-Sham molecular orbital compositions and natural bond orbital calculatio

70 Medical records and orbital computed tomography images were reviewed and ana

71 (centered on ~3.205 Ma) which has a similar orbital configuration to present.

72 Independent of orbital configuration, we suggest that airborne dust can

73 Our Stability of Planetary Orbital Configurations Klassifier (SPOCK) predicts stabi

74 Collision risk from this orbital congestion is costly to satellite operators.

75 are unlikely to fully address the problem of orbital congestion.

76 wo-stage one-step mechanism beyond molecular orbital considerations behind the traditionally accepted

77 be classified as either charge- or frontier orbital-controlled; instead, our results indicate that t

78 nctional and domain-based local pair natural orbital coupled cluster [DLPNO-CCSD(T)] theory reveal tr

79 g high-level domain-based local-pair natural orbital coupled cluster singles doubles with perturbativ

80 entation measurements indicate that the spin-orbital coupling is crucial in 5 x 5 Fe vacancy-ordered

81 re identified as long-eccentricity (~405-ky) orbital cycles.

82 character, the fourth electron resides in an orbital defined by strong 7s-6d z2 mixing.

83 nd interesting effects occur in systems with orbital degeneracy.

84 ffective dimensionality in many systems with orbital degrees of freedom due to the directional charac

85 and [Formula: see text], the availability of orbital degrees of freedom needed for the hidden order i

86 al and into the control of spin, charge, and orbital degrees of freedom, central pillars of future so

87 c interactions and the occurrence of n->pai* orbital delocalisation in C=O...C=O interactions.

88 inductive polarisation manifested by n->pai* orbital delocalisation.

89 s, while others implicated lone pair n->pai* orbital delocalisation.

90 bital (NBO) calculations support the role of orbital delocalization (occurring by intramolecular chal

91 ker oscillator strength state with molecular orbitals delocalized over the P chlorophylls.

92 mon indications for biopsy were nonresolving orbital disease with inadequate response to corticostero

93 ic b, has an orbital period of 8.46 days, an orbital distance of 0.07 astronomical units, a radius of

94 olecular orbital-lowest unoccupied molecular orbital distributions for facilitated charge transfer, w

95 ly developed domain based local pair natural orbital (DLPNO) implementation of the similarity transfo

96 Tuning this secondary orbital (donor-acceptor) interaction for various derivat

97 with its antibonding unpaired electron in an orbital doublet, which renders R(3)S(0) Jahn-Teller (JT)

98 edian time between vitreoretinal surgery and orbital emphysema was 8 days (interquartile range [IQR]

99 Manipulating frontier orbital energies of aromatic molecules with substituents

100 nd-generation absolutely localized molecular orbital energy decomposition analysis, suggest that the

101 olecular orbital-lowest unoccupied molecular orbital energy levels and enhance the pai-conjugation.

102 s, quantum chemical parameters like frontier orbital energy-HOMO-LUMO energy gap, hardness and softne

103 n weaken the hybridization of Ni 3d and P 2p orbitals, enrich the electron density of Ni and P atoms

104 states as a key process that leads to a spin-orbital entanglement.

105 effects of gravitational stirring due to the orbital evolution of hypothetical planet(s) around the s

106 se results also constrain lunar distance and orbital evolution throughout the Cryogenian, and highlig

107 suggest that Ryugu previously experienced an orbital excursion near the Sun.

108 workflow study for the fabrication of custom orbital exenteration prostheses via automated noncontact

109 Thereafter, the patient underwent a wide orbital exenteration with reconstruction using a tempora

110 boring impurities interact to form quantized orbitals, exhibiting an intriguing spin-orbit splitting,

111 Reductions in extraocular muscle, orbital fat volume, or both were observed in 6 patients

112 Human orbital fibroblasts (OFs) were treated with the pro-scar

113 visits in the US with a primary diagnosis of orbital floor fracture.

114 Orbital floor fractures are becoming an increasingly com

115 ls will be crucial to mitigate the burden of orbital floor fractures on the healthcare system.

116 strategy for achieving high-energy in-plane orbitals for aromatics simply by positioning iodine atom

117 vidually, e.g., Fukui functions or HOMO/LUMO orbitals for the spin-pairing/(frontier) orbital interac

118 the marine carbon cycle to long-eccentricity orbital forcing.

119 al corneal and/or conjunctival injuries, and orbital fractures accounted for 73.2% of all visits wher

120 In 3D hybrid perovskites, orbitals from the organic molecules do not participate i

121 ased on the characteristics of the molecular orbitals from which electrons are removed.

122 bition of amygdala, basal-ganglia, thalamus, orbital frontal cortex, inferior frontal gyrus and dorso

123 he parietotemporal junction, the lateral and orbital frontal cortex, the anterior insula, and mesiote

124 w that this effect can be used to manipulate orbital gaps, the symmetry of the highest occupied orbit

125 sciculus, and inferior temporal and superior orbital gyri as the biomarker components.

126 ure to an incommensurate electric dipole and orbital helix via an intermediate density wave.

127 (QI) between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbit

128 and the highest (doubly) occupied molecular orbital (HOMO) in both axial and helical bicarbazole mon

129 ng orbital as the highest occupied molecular orbital (HOMO).

130 olecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap and natural bond orbital (NBO) v

131 hieve small HOMO-lowest unoccupied molecular orbital (HOMO-LUMO) gaps in organic electronic materials

132 Orbital imaging could not diagnose sarcoidosis.

133 In conclusion, orbital imaging is accurate for the diagnosis of IgG4, N

134 However, the diagnostic value of orbital imaging is not well elucidated.

135 Radiologic orbital imaging provides important information in the di

136 ed to investigate the diagnostic accuracy of orbital imaging to diagnose orbital inflammatory disease

137 ents in the teprotumumab group who underwent orbital imaging.

138 the metal orbitals are aligned to the ligand orbitals in a "head-to-head" or "side-to-head" fashion.

139 Rapid, low-barrier transport between orbitals in adjacent molecules should significantly exte

140 r changes in the relative roles of the 5f/6d orbitals in curium-sulfur bonds in [Cm(pydtc)(4)](-) (py

141 te the contributions of the pyrazinium-based orbitals in the band gap transition of A(II) Pb(2) X(6)

142 We observed a temporal evolution of the orbital inclination of this pulsar that we infer is caus

143 monstrate a systematic evolution with the LL orbital index, consistent with generic theoretical expec

144 (TED) (41 scans, 31 patients), non-specific orbital inflammation (NSOI) (22 scans, 14 patients), sar

145 les in IOM resemble those seen in idiopathic orbital inflammation and differ from those seen in commo

146 formation in the diagnosis and management of orbital inflammation.

147 stic accuracy of orbital imaging to diagnose orbital inflammatory diseases and its ability to detect

148 monstrate whole-brain gene delivery by retro-orbital injection of virus, but slow and sparse expressi

149 Our findings provide further information on orbital injuries from airguns, a theme of growing popula

150 levels, global ice volume and sea level, and orbital insolation forcing.

151 an be missed when only a single spin-pairing/orbital interaction descriptor is considered.

152 es this base to engage in a more stabilizing orbital interaction with CH(3)CH(2)Cl and hence to prefe

153 The P -> Fe donation represents ~70% of the orbital interaction, whereas the Fe -> P pai-back-donati

154 pai-back-donation corresponds to ~15% of the orbital interaction.

155 UMO orbitals for the spin-pairing/(frontier) orbital interactions and molecular electrostatic potenti

156 metal clusters featuring direct metal-metal orbital interactions between low-coordinate metal center

157 ion of a linear Fe-N(2)-Fe unit and leads to orbital interactions that are distinct from those availa

158 hole lp...pai concept that refers to elusive orbital interactions that fail to explain short interato

159 gen are not involved in strongly stabilizing orbital interactions.

160 center "hyperbonding" (lone-pair-antibonding-orbital) interactions elucidates not only the origin of

161 rtions, introducing the empty d(xy)/d(x2-y2) orbitals into the secondary coordination sphere of the M

162 e safe and efficient in patients with select orbital intraconal tumors.

163 h electron transfer involves metal-localized orbitals, investigations of [(P(6)ArC)Fe(2)(mu-H)](+1) a

164 .3%) with Horner syndrome, and 1 (0.2%) with orbital involvement and a cranial nerve palsy.

165 The most common findings were orbital involvement in 37 (43.0%), opsoclonus in 20 (23.

166 Orbital involvement was common and associated with a poo

167 ngs at presentation, including 8 (1.5%) with orbital involvement, 7 (1.3%) with Horner syndrome, and

168 hereas a worse prognosis was associated with orbital involvement.

169 e bandwidth of the flat band of out-of-plane orbitals is less than 0.02 eV along Gamma-M.

170 ading of the coherent condensate in distinct orbital lattice modes of different symmetries.

171 ional theory calculations that a high energy orbital (lO(2p')) at under-coordinated surface oxygen pr

172 hoice behavior, and we show that the lateral orbital (LO) area is intimately related to the decision

173 onally determined highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO)

174 4 eV), and highest energy occupied molecular orbital-lowest unoccupied molecular orbital distribution

175 ies the tuning of highest occupied molecular orbital-lowest unoccupied molecular orbital energy level

176 l (HOMO) and the lowest unoccupied molecular orbital (LUMO) produces a nonlinear energy-dependent tun

177 he flat bands give the Bloch electrons large orbital magnetic moments so that a small current can gen

178 s was suggested by perineural enhancement on orbital magnetic resonance imaging (MRI) and confirmed b

179 range of ALs underwent high-resolution axial orbital magnetic resonance imaging in target-controlled

180 ena, such as superfluidity in flat bands(5), orbital magnetic susceptibility(6,7), the exciton Lamb s

181 icularly-magnetized iron garnets, rare-earth orbital magnetism gives rise to an intrinsic spin-orbit

182 ry a magnetic moment and a large diamagnetic orbital magnetization of a possible topological origin a

183 uced symmetry breaking allow an out of plane orbital magnetization to be generated by a charge curren

184 spin-down polarized, in lock with a negative orbital magnetization.

185 so that a small current can generate a large orbital magnetization.

186 ic malignancy or the presence of an atypical orbital mass in addition to enlarged muscles (44.4%).

187 These quasi-relativistic atomic orbitals may be used for improving ab-initio software pa

188 ur spectroscopic results highlight different orbital mechanisms that modulate coupling in these compl

189 We propose an orbital mediated transport for PC, which involves sequen

190 UV-vis spectra are used to directly observe orbital mixing between the ferrocenyl units and the imin

191 Thus, valence bond (VB), molecular orbital (MO), and energy decomposition analysis (EDA), a

192 This new orbital model considers electronic delocalization betwee

193 e bent bond/antiperiplanar hypothesis (BBAH) orbital model rationalizes all of these results by consi

194 e bent bond/antiperiplanar hypothesis (BBAH) orbital model to test its validity.

195 The anisotropy is related to an unquenched orbital moment of 0.42 mu(B) on Co, which is hybridized

196 The sensitivity/specificity of orbital MR was 83.3/16.7% for the detection of active NS

197 thalmic artery are affected; in these cases, orbital MRI can be very useful for early diagnosis.

198 Four orbital MRI scans were obtained from different head posi

199 ngly considered whenever the presentation of orbital myositis is not typical or when significant unde

200 Natural bond orbital (NBO) calculations suggest these observed confor

201 ity functional theory (DFT) and natural bond orbital (NBO) calculations support the role of orbital d

202 lar orbital (HOMO-LUMO) gap and natural bond orbital (NBO) valence energies.

203 In particular, the nuclear-electronic orbital (NEO) approach treats specified nuclei, typicall

204 Orbital observation has revealed a rich record of fluvia

205 ation of the ordering of magnetic moments or orbital occupancies at low temperatures, which is especi

206 electrons, including two pai-electrons in an orbital of Mobius topology.

207 nerated electrons and holes between frontier orbitals of adjacent, weakly interacting oligomeric subu

208 ance derived from the interaction of valence orbitals of adsorbates with the broad sp-band of main-gr

209 sibility due to ionization of the inner-core orbitals of carbon.

210 The frontier orbitals of each of these species have been investigated

211 rs are transferred to the antibonding (pai*) orbitals of O(2) strongly hybridized with the metal stat

212 tween the HOMO and strongly coupled occupied orbitals of opposite phase is enhanced.

213 d radial extension of the frontier molecular orbitals of the aluminum(I) fragment compared to that of

214 ndocyclic heteroatom and the sigma* acceptor orbitals of the C-M bond.

215 n the Ti3d-orbitals of the substrate and O2p-orbitals of the film.

216 e interfacial hybridization between the Ti3d-orbitals of the substrate and O2p-orbitals of the film.

217 the potassium atoms occupies antibonding pai orbitals of the SWCNTs, weakening their C-C bonds, and r

218 The lone pair orbitals on the iodines mix to give a high-energy in-pla

219 Variants of the orbital-optimized perturbation theory (NEO-OOMP2) method

220 lone pair into the antibonding sigma*((C-X)) orbital or the minimization of the dipole-dipole interac

221 Specifically, orbital ordering and lone electron pair stereochemical a

222 In this conformation, ring sigma(C-O)* orbitals oriented antiperiplanar to the allyloxocarbeniu

223 s a discrete entity with weak intermolecular orbital overlap between neighboring complexes.

224 al Rh(II)-Rh(II) sigma bond, but significant orbital overlap between the Rh 4d(z)(2) and S 3p(z) orbi

225 Direct orbital overlap results in strongly coupled, large-spin

226 2) phase of borophene provides a substantial orbital overlap, which leads to an excellent electron de

227 n the ground state as a result of the strong orbital overlap, while the quartet-state spin configurat

228 he molecular triplets-that is, the extent of orbital overlap-determines the splitting within the spin

229 rdinate metal centers and direct metal-metal orbital overlap.

230 lp...pai contacts do not result from n->pai* orbital overlaps but from weak dispersion and electrosta

231 tical regions: lateral orbitofrontal cortex (orbital part of area 12 [12o]), cingulate cortex, and la

232 ion rate processes, especially if Bi-based s-orbitals participate on the bond with the metal center,

233 iodide is enhanced through halogen bonding, orbital pathways, and ion pairing.

234 In this case, however, the long orbital period (compared with other white dwarfs with cl

235 The transiting planet, AU Mic b, has an orbital period of 8.46 days, an orbital distance of 0.07

236 The median semi-major axis and orbital period of planets in phase space overdensities a

237 The two planets have orbital periods of 9.3 and 21.8 days.

238 constellations harness energy from nonlinear orbital perturbation forces (e.g., Earth's geopotential,

239 This orbital photogalvanic effect, driven by the helical phas

240 d, have not been clearly observed, and their orbital physics are even less well investigated.

241 dict that if the disk is misaligned with the orbital plane of the stars, the disk should warp and bre

242 n eccentric ring that is misaligned with the orbital planes and the outer disk.

243 The orbital prefrontal cortex (PFo) has been associated with

244 e spatial charge densities and the atom- and orbital-projected density of states (DOSs).

245 The first copy of every 3D-printed orbital prosthesis using this fabrication workflow produ

246 ing, and silicone casting for fabrication of orbital prosthesis was developed and validated.

247 Less common but even more severe, are orbital pseudotumor or posterior segment involvement.

248 In only 1 case with an orbital pseudotumor was the resection subtotal because o

249 may be attributed to more diffuse Br valence orbitals relative to Cl orbitals.

250 g both a lone pair of electrons and a vacant orbital, reminiscent of singlet carbenes.

251 These results indicate that orbital-by-orbital removal of self-interaction combined with a prop

252 Phase inversion introduced by d orbitals renders the Pd-catalyzed [pai2s + pai2s + sigma

253 We conclude that this terrestrial orbital response transition coincided with a similar tra

254 overlap between the Rh 4d(z)(2) and S 3p(z) orbitals results in a strong antiferromagnetic coupling

255 However, diabatization via overlapping orbitals reveals two types of nested electronic states,

256 8 of 388 (5%) had lesions above the superior orbital ridge and below the proximal third of the femur,

257 ope reveals a second CO bound in the d(z)(2) orbital's equatorial plane.

258 Detailed orbital-scale terrestrial environmental responses to the

259 cortical thickness in others (gyrus rectus, orbital segment of the superior frontal gyrus, and middl

260 energy scales present in the low-dimensional orbital-selective Mott phase (OSMP) induce an exotic mag

261 To this end, we used the Fermi-Lowdin orbital self-interaction correction method (FLOSIC) to c

262 hour, low-eccentricity (0.09) orbit, with an orbital separation of 1.8 solar radii(7), and the two ne

263 was cavernous hemangioma (72.7%) followed by orbital sheet meningioma (9.1%).

264 ns that are smaller than the typical Wannier orbital size of 15 nanometres and with twist angles that

265 n in energy of the singly occupied molecular orbital (SOMO) and the highest (doubly) occupied molecul

266 The singly occupied molecular orbital (SOMO) of this hydrocarbon radical resembles bot

267 cter/energy of the singly occupied molecular orbital (SOMO), which we propose from density functional

268 measurements reveal that the strain-mediated orbital splitting effectively customizes the relatively

269 f the conformational restraint on atomic and orbital structure across the cyanine series.

270 Focusing on area 14, lying on the medial and orbital surfaces of the gyrus rectus, this study address

271 d the imine pai system since breaking of the orbital symmetry results in allowed transitions (e = 280

272 t band is directly confirmed by the chiral d-orbital texture of the corresponding real-space Wannier

273 unique opportunity to observe the molecular orbitals that contribute to the excited states that are

274 pyrazinium-based cations with low-lying pai* orbitals that form the conduction band, substantially de

275 delocalized pai-systems, low-lying frontier orbitals that stabilize otherwise highly reactive specie

276 Thanks to the nature of molecular orbitals, the absorption spectra of organic semiconducto

277 in the molybdates is explained by molecular orbital theory and electronic structure calculations.

278 ivation strain model and Kohn-Sham molecular orbital theory at ZORA-OLYP/QZ4P.

279 ing electrons in both lobes of their empty p-orbital, they are capable of simultaneously interacting

280 lone pair of electrons and an unoccupied 3p orbital, thus genuinely making it isoelectronic with car

281 F1R) with TSHR autoantibodies, causing retro-orbital tissue expansion and inflammation.

282 of energy alignment between metal and ligand orbitals to achieve high capacities at high potentials i

283 ot straightforward, as aligning the frontier orbitals to E(F) is hard to control(9).

284 electrospray ionization coupled to either an orbital-trap (Fourier-transformed, FT) or linear ion-tra

285 Orbital tuning of the delta(13)C(TOC) record provides th

286 Whenever these orbital-types are spatially coincident, the covalent bon

287 ching between the ferrocene and organic pai* orbitals upon coordination, allowing superexchange coupl

288 , we show that an internationally harmonized orbital-use fee can correct these incentives and substan

289 l cycle of Arctic sea-ice that are forced by orbital variations and volcanic eruptions.

290 administered either intravenously via retro-orbital vein injection or via intracranial transplantati

291 ich determine the compactness of the valence-orbitals vis-a-vis the filled semicore orbitals.

292 amide are required to occupy a 3c-4e sigma* orbital which is too high in energy to be reachable.

293 npaired electron located on the cobalt d(z2) orbital, which is well positioned for substrate oxidatio

294 ates present the splitting of e(g) and t(2g) orbitals, which can be modulated by its coordination str

295 radial-distribution-functions of the atomic orbitals, which determine the compactness of the valence

296 Whereas three unpaired electrons in 2 occupy orbitals with essentially pure 5f character, the fourth

297 analogue, owing to the contraction of the 4f orbitals with respect to the 5f orbitals(4).

298 c structure connecting the open shell iron d-orbitals with three aromatic ring systems.

299 verleaf" (e.g., d(x)(2)-(y)(2)) odd-electron orbital, with Ni(p) binding two, apparently "in-plane" C

300 freedom due to the directional character of orbitals, with the concomitant appearance of some instab