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1 strength, with emphasis on the importance of bond length.
2 xygen positions and the often neglected Si-O bond length.
3 ate description of the bond strength via the bond length.
4 f freedom, increases with increasing valence bond length.
5 ether with their binding energies, and their bond lengths.
6 deling to result in unheard of carbon-oxygen bond lengths.
7 state, hybridization state, and metal-ligand bond lengths.
8 er of hydrogen bonds having relatively short bond lengths.
9 the S(0) and (1)pisigma* PESs at longer O-H bond lengths.
10 lity in these systems is limited to about 24 bond lengths.
11 delocalization interactions in impacting O-P bond lengths.
12 ty of the scissile O-P bond through computed bond lengths.
13 ith a square planar geometry but with longer bond lengths.
14 stituent) are shown to result in shorter O-P bond lengths.
15 ly the same quadratic dependence as the Ln-X bond lengths.
16 d on their measured and our calculated Zn-Zn bond lengths.
17 ter of which can be used to infer (1)H-(17)O bond lengths.
21 The isostructural chloroxenate anions (Xe-Cl bond lengths, 2.9316(2) to 3.101(4) A) were synthesized
22 ccupancy of the Fe 3d orbital; a longer Fe-O bond length; a decreased covalency of the Fe-O bond; and
23 associated rate strongly correlates with the bond length alternation (BLA) of the two bridge bonds.
24 A detailed structure-property correlation of bond length alternation data and Raman frequencies is pr
27 then introduce a Marcus-Hush model with the bond length alternation vibrational mode, treating the G
28 nd length alternation, which showed that the bond length alternation was slightly greater for the ant
29 , when structures of 5(2-) and 5(2+) with no bond length alternation were examined, there was a drama
31 ed states have high cumulenic character (low bond length alternation) around the central region of th
32 ondon region dominated by changes in retinal bond length alternation, (2) dwell time on the excited s
33 s the electron delocalization, decreases the bond length alternation, and leads to variation in the w
34 nduced charge transfer, and reduction of the bond length alternation, as well as smaller Gibbs energi
35 the TES-ethynyl groups in 1 lead to enhanced bond length alternation, resulting in weaker aromaticity
36 examined through comparison of the degree of bond length alternation, which showed that the bond leng
37 the absence of any significant carbon-carbon bond-length alternation (BLA) along their backbones.
38 le, [3]TrTol, outline monotonic increases in bond-length alternation (BLA) upon stepwise reduction.
39 -)) in the active site induce changes in the bond-length alternation of the all-trans retinyl chromop
40 43 nm spectral shift is due to an increased bond-length alternation of the protonated Schiff base of
42 alculated bond lengths reveal a reduction in bond-length alternation upon photoexcitation, indicating
44 the sum of van der Waals radii) and that the bond-length-alternation is perturbed in the vicinity of
47 n diffraction results, along with supporting bond-length analysis from high resolution x-ray diffract
48 perties of the spacers can be predicted from bond length and conformation data (obtained from crystal
51 ll-known relationship between bond order and bond length and makes use of the experimental bond dista
52 ound state as linear 3Sigma(u)+ with 1.840 A bond length and molecular orbital occupancies for an eff
55 nifested by the pronounced elongation of O-C bond length and the tilting of the methoxy axis, which f
56 r, subject to larger deformation of the Pb-X bond length and X-Pb-X bond angles, sees the formation o
57 rine ring structure yielded the experimental bond lengths and 2sigma errors R(B-N) = 1.45(3) A, R(B-C
58 state is accompanied by an increase in Fe-N bond lengths and a concomitant contraction of intraligan
61 iene) afforded 1-[Ir(COD)Cl], a complex with bond lengths and angles that were in accord with known N
62 sitions can cover all of the known ranges of bond lengths and bond angles for a given type of metal c
65 based on the precise structural parameters (bond lengths and coordination number) extracted from the
66 Further, the requirement for identical Cu-Se bond lengths and Debye-Waller factors at each absorption
68 nd 300 K also reveals elongation of the Fe-P bond lengths and increment in the Cl-Fe-Cl angle as the
69 large deviation from the correlation of C-C bond lengths and strengths, but the computed force const
70 have a dramatic influence on alkylperoxo O-O bond lengths and the barrier to alkylperoxo O-O bond cle
71 3 calculations on 1a-c provided quantitative bond lengths and torsional angles to support the conclus
72 compounds with relatively short Fe-N(imide) bond lengths and two-electron reduction of the redox-act
73 ns is provided by a geometry optimization of bond lengths and valence angles with XRD torsion angles
75 , Omega = 3) ground state, a similar 1.855 A bond length, and a fully developed triple bond of 2.82 e
76 he potential impact of charge, metal-iridium bond length, and stability of terminal vs internal alken
77 rotation angles, packing distances, hydrogen bond lengths, and helical pitches) for the one and three
79 nt collapse process didn't induce volume and bond length anomalies in the two compounds, the unique a
80 nformational changes in DNA structure as the bond length approaches 3 nm and show that cations that s
81 and width, orbital overlap, bond energy, and bond length are used to explain trends in electronic pro
83 though deviations from ideal bond angles and bond lengths are frequent(6), alternative parent geometr
84 xes, [Titm(Me)]ZnX, demonstrate how the Zn-C bond lengths are highly variable (2.17-2.68 A) and are u
87 ion states are also highly asynchronous, but bond lengths are skewed in the opposite direction compar
88 ction induces substantial contraction in all bond lengths around the metal centers, along with diagno
90 etermination of the individual Zn-N and Zn-C bond lengths as 1.969(2) and 2.030(2) A, respectively.
91 irst breakthrough in direct C-H and C[double bond, length as m-dash]C bond alkynylation has also been
92 lic configurations; the presence of C[double bond, length as m-dash]C bonds and aromatic rings; and f
94 metallacyclocumulenes Cp'2M[eta2-C(R)[double bond, length as m-dash]C(C2R)-C(R)[double bond, length a
95 ash]C[double bond, length as m-dash]C[double bond, length as m-dash]C(R)-] (formed by coordination of
96 ash]C[double bond, length as m-dash]C[double bond, length as m-dash]C(R)-] (formed by coordination of
97 -C(R)[double bond, length as m-dash]C[double bond, length as m-dash]C(R)-C(R2)-] (formed by coordinat
98 SiC2SiMe3 (mono-functional alkynes: C[triple bond, length as m-dash]C) in Cp'2M(eta2-Me3SiC2SiMe3) (C
99 C[triple bond, length as m-dash]C, C[triple bond, length as m-dash]C), and seven-membered metallacyc
100 C[double bond, length as m-dash]C, C[double bond, length as m-dash]C), five-membered metallacycloall
101 C[double bond, length as m-dash]C, C[triple bond, length as m-dash]C), metallacyclocumulenes Cp'2M[e
102 C[triple bond, length as m-dash]C, C[triple bond, length as m-dash]C), with M = Ti, Zr, and Hf were
103 dination of tri-functional trienes: C[double bond, length as m-dash]C, C[double bond, length as m-das
104 C[double bond, length as m-dash]C, C[double bond, length as m-dash]C, C[double bond, length as m-das
105 ordination of bi-functional enynes: C[double bond, length as m-dash]C, C[triple bond, length as m-das
106 ordination of bi-functional diynes: C[triple bond, length as m-dash]C, C[triple bond, length as m-das
107 nation of two bi-functional diynes: C[triple bond, length as m-dash]C, C[triple bond, length as m-das
108 di-Ph2P- (hetero-tri-functional: P, C[triple bond, length as m-dash]C, P) in Cp'2M(eta2-Ph2C2PPh2), a
109 ha-mono-SiH- (hetero-bi-functional: C[triple bond, length as m-dash]C, SiH) and alpha-di-SiH-substitu
110 lkynes (hetero-tri-functional: SiH, C[triple bond, length as m-dash]C, SiH) in Cp'2M(eta2-Me3SiC2SiMe
111 d metallacycloallenes Cp'2M[eta2-C(R)[double bond, length as m-dash]C[double bond, length as m-dash]C
112 metallacyclocumulenes Cp'2M[eta2-C(R)[double bond, length as m-dash]C[double bond, length as m-dash]C
113 -C(R)[double bond, length as m-dash]C[double bond, length as m-dash]C[double bond, length as m-dash]C
114 le bond, length as m-dash]C(C2R)-C(R)[double bond, length as m-dash]C[double bond, length as m-dash]C
115 -C(R)[double bond, length as m-dash]C[double bond, length as m-dash]C[double bond, length as m-dash]C
116 contributions of the carbene (LAu(+)[double bond, length as m-dash]CR2) and alpha-metallocarbenium (
118 ash]O units has been replaced by an S[double bond, length as m-dash]N moiety, they can confer new rea
119 N[double bond, length as m-dash]CR3-N[double bond, length as m-dash]N-Ar5), a class of nitrogen-rich
120 /elaborated for the generation of [An[double bond, length as m-dash]NR] and [Ln[double bond, length a
122 es of sulfones where one of the two S[double bond, length as m-dash]O units has been replaced by an S
123 red as a metric of N(2) reduction to the N-N bond length, as there is excellent agreement between the
124 in vacuum and direct measurements of the C-C bond lengths at the edge show ~86% contraction relative
125 hat are unsupported by bridging ligands, the bond lengths being calculated as 3.229 A for [Re2Cp2(CO)
127 delocalized structure with no difference in bond length between adjacent C(meso)-C(alpha) bonds.
130 is observed, which can be used to determine bond lengths between selected pairs of equivalent atoms
131 In addition, there is a trend toward longer bond lengths between the C(2) ketal center and the aryl
132 ional modes originate from the change of the bond lengths between the metal atoms and chalcogen atoms
133 inated structure with a wide distribution of bond lengths, bond angles, and five-, six-, seven- and e
134 verse-kinematics approach and assuming fixed bond lengths, bond angles, and peptide bond torsions, as
137 NMR spectroscopy reveals a very short H-H bond length, but the hydrogen molecule is activated towa
138 structural sensitivity to the corresponding bond lengths, but previous studies have failed to identi
140 mplex molecule via changing the metal-ligand bond length can shift its electronic energy levels and p
143 ese dizinc products also provide their Zn-Zn bond lengths: CCSD(T) calculations find a short 2.367 an
144 e modulated by the probe energy and that the bond length change associated with molecular breathing m
148 a 0.018 A decrease in C(delta)-H/C(gamma)-O bond length, consistent with favorable sigmaC-H --> sigm
149 ](+) complex exhibits symmetric Mn-O(peroxo) bond lengths, consistent with a side-on bound peroxo lig
150 us relaxations, involving large out-of-plane bond length contractions for the edge atoms (approximate
151 e scattering environments with corresponding bond lengths, coordination numbers, and Debye-Waller fac
152 nts in annual reproductive success with pair-bond length could be a secondary factor favouring perenn
153 es the difference between long and short V-V bond-lengths (Delta(V-V)) in monoclinic structures which
154 anthanide contraction in the individual Ln-O bond lengths deviates considerably from the expected qua
158 ents, we show that these results support the bond length disproportionation model of the MIT in the r
160 arly resolved, with observable variations of bonding lengths due to excess Coulomb force from bare io
161 dies and DFT calculations show that the Pb-I bond length elongation reduces the overlap of the Pb s-
162 ack as reflected by free energy, C1-O1/O5-C1 bond length elongation/reduction, C1-O1 bond orientation
163 usually found in aromatic compounds such as bond length equalisation, energetic stabilisation, and p
164 jugated structures near the cyanine limit of bond length equalization as a result of the strong inter
166 spin states as functions of the metal-oxygen bond length for a Co(3+) ion in an octahedral coordinati
169 persion correction resulted in shortened M-C bond lengths for the stable complexes, and it was found
171 n ground state structures, from noncanonical bond lengths for WT toward solution values with mutants.
172 At specific O-O distances, consistent with bond lengths found in amorphous Al2O3 or near Al2O3 surf
173 one of the bonding subgroups (with the same bond length) found in amorphous PCMs, in marked contrast
174 ddition can be used to controllably tune DNA bond length from 16 to 3 nm and to increase bond stabili
175 ere we demonstrate the retrieval of multiple bond lengths from a polyatomic molecule by simultaneousl
176 n these complexes and may help deduce the NO bond lengths from using experimental vibrational data in
177 eme in both structures is the elongated Pt-P bond lengths (>2.4 A), indicating that nucleophilic liga
180 y crystallography, which showed that the U-C bond length in 2 (2.624(4) A) is approximately 0.1 A lon
182 AFS) simulations indicate the average Fe-O/N bond length in Dfh is 2.13 A, consistent with a ligand g
185 is electrostatic arrangement affects the N-H bond length in the region of the flavin reactive center.
187 g the Fe-O stretching frequency and the Fe-O bond length in this excited state and quantifying the pi
189 nship between NO vibrational frequencies and bond lengths in all of these NO-containing systems.
190 laining this non-classical trend of the An-L bond lengths in both series, underscoring the significan
192 a smaller singlet-triplet splitting, closer bond lengths in the ground (1)A' and the first excited (
194 We illustrate the method by determining the bond lengths in the structure of the Co(II) coordination
195 The absence of differences in intraligand CC bond lengths in the transition states relative to the gr
200 I(t)BuPrCO(2) (2f) indicate that the C-CO(2) bond length increases as the N-substituents rotate towar
202 eatures a virtually planar central ring with bond lengths indicating significant delocalization.
203 d CaCO(3) but with much larger C-O and Ca-Ca bond lengths, indicating a lower density and a mechanism
204 I fluorescent state featuring an untwisted, bond length inverted RPSB, and (3) rapid torsional evolu
205 r the complex, the experimental ethylene C-C bond length is 1.432(5) A, which falls between the free
208 re of 3-t-Bu reveals that the trans U-O(ArO) bond length is shortened by 0.1 A in comparison to the c
210 hermore, the difference in Hg-EPh and Cd-EPh bond lengths is a function of the chalcogen and increase
211 AdoCbl structure, and specifically the Co-C bond length, is not a basis of Co-C bond cleavage cataly
212 um dots registered to within a single atomic bond length (limited by the polydispersity of the quantu
213 he cooperative effects of changes in the V-O bond length, localization of V(3+) electrons at V(5+) si
214 ue series of ruthenates in which the average bond length <A-O> remains the same but the bond-length v
215 c SrRuO3 can be obtained from the curve at a bond length <A-O>, which makes the geometric factor t =
221 o measure a 0.1 A displacement in the oxygen bond length occurring in a time interval of approximatel
222 e transient dimethyl amine radical has a N-C bond length of 1.45+/-0.02 angstrom and a C-N-C bond ang
224 e compound II derivative were an iron-oxygen bond length of 1.82 A and an iron-sulfur bond length of
225 ffraction reveals a uranium-terminal nitride bond length of 1.825(15) angstroms (where 15 is the stan
226 ne structure analysis found a short Fe-(O/N) bond length of 1.96 A at pH 8.50, strongly suggesting th
228 gen bond length of 1.82 A and an iron-sulfur bond length of 2.24 A, both of which indicate an iron-ox
230 possesses trans-planar geometry and an Al-Al bond length of 2.3943(16) A, which is the shortest dista
237 degree of N1 protonation with the decreased bond lengths of 1.92, 1.55, and 1.28 A, respectively.
238 n this work with average Fe-Nimido and Fe-Fe bond lengths of 1.941(6) and 2.530(1) A, respectively.
241 raction studies of AsP(3) have provided r(g) bond lengths of 2.3041(12) and 2.1949(28) A for the As-P
242 tion analysis reveals strongly elongated N-N bond lengths of dNN = 1.34(2)-1.35(3) A exceeding those
245 hile analysis of the differences between the bond lengths of the catalytic aspartates was performed u
247 f complexes to be closely isostructural; the bond lengths of the Hf complex are slightly shorter, but
249 on of ultralong-range Rydberg molecules with bond lengths of ~100 nanometers and kilo-Debye permanent
251 ical responses depending on number of double bonds, length of the acyl chain, infused lipid concentra
253 ivity of (19)F shielding to small changes in bond length, on the order of 0.01 angstrom or less, even
254 er bond lengths than their respective single bond lengths or their separations in (calculated) isolat
255 s, elongation of the copper-to-apical-oxygen bond length, or a beneficial crosstalk between a materia
256 lly due to surface roughness, unequal native bond lengths, or conditions that act to unzip the bonds.
257 observed trends had been proposed, based on bond lengths, pyramidalization angles, shape and energie
259 mid geometry is slightly distorted with Pb-O bond lengths ranging from 2.21 to 2.31 angstrom and O-Pb
260 lic complex features a relatively short Ni-M bond length, ranging from 2.3395(8) angstrom (Ni-Ga) to
261 ost distorted octahedra and a shortest Pb-Ru bond length relative to the average Pb-Ru bond length th
264 d framework distortions that balance the C-O bond lengths required for covalency with host-guest dist
265 e triflates reveals 1.658 and 1.619 A C-O(+) bond lengths, respectively, the former of which is a new
268 ucture results from a 0.7% average Fe-ligand bond length shift between the 1 s and 2p core-ionized st
270 ost [Fe(IV)(O)(TMC)(X)](+) species have Fe=O bond lengths similar to that of [Fe(IV)(O)(TMC)(NCMe)](2
271 are no relationships or correlations between bond lengths, strengths, and vibrational frequencies.
272 solid state, complexes 2-5 feature short U-E bond lengths, suggestive of actinide-ligand multiple bon
273 is species support mechanism I, and the Ni-C bond length suggests a homolytic cleavage of the Ni(III)
275 nes in these structures have somewhat longer bond lengths than their respective single bond lengths o
276 Ru bond length relative to the average Pb-Ru bond length that has ever been reported in a perovskite
279 the neptunium atoms is evidenced by Np-O(yl) bond lengths that lie outside the typical range for Np(V
280 XeO3)4], in which the cage anions have Xe-Br bond lengths that range from 3.0838(3) to 3.3181(8) A.
281 Via direct charge transfer or by affecting bond lengths, the ligand effects cause the Pd d band to
282 re on the molecular scale, enabling the DNA "bond length" to be reversibly altered between 17 and 3 n
285 these changes are associated with changes in bond lengths upon ionization; in general, better agreeme
287 e bond length <A-O> remains the same but the bond-length variance varies, we are able to demonstrate
288 atomic interfaces and capture Angstrom-level bond-length variations in single-layer graphene and MoS2
290 eir exceptional properties to engineer their bond length, vibrational state, angular momentum and ori
291 pin crossover complexes are known to undergo bond length, volume, and enthalpy changes during spin tr
292 ct of the trans phosphine ligand on the Ir-C bond lengths was smaller than the effect of the substitu
293 comitant with the quadratic decrease in Ln-X bond lengths, was confirmed by reexamination of four oth
294 ular configuration, causing expansion of the bond length, which then returns back to the contracted v
295 ve region (cSAR, known earlier as qSAR), and bond lengths, which have been regressed against Hammett
296 r changes in the metal-oxo and metal-hydroxo bond lengths, which is traced to the difference in d-orb
297 gle of the carboxylate group and the C-CO(2) bond length with respect to the imidazolium ring is depe
299 lts include the first measurement of an Am-S bond length, with a mean value of 2.921(9) A, by single-
300 The model explains an increased hydrogen bond length without nuclear quantum effects and for a pr