ライフサイエンスコーパス: bond angle

1 s a function of Fe-NO bond length and Fe-N-O bond angle.

2 ndence can also be observed for the hydrogen bond angle.

3 ppearances reflect differences in the Fe-N-N bond angle.

4 were the CN and NN bond lengths and the CNN bond angle.

5 d is positioned to bring about the change in bond angle.

6 n of an A1g mode that modulates the Fe-As-Fe bond angle.

7 ural feature, the largest metal-halide-metal bond angle.

8 ive to hydrogen-bond length but not hydrogen-bond angle.

9 er384, with an approximately linear P-O-H(N) bond angle.

10 ond length, and altered ligand-copper-ligand bond angles.

11 l" bond lengths and 1.5 degrees from "ideal" bond angles.

12 result of their relatively smaller external bond angles.

13 as in specific interatomic bond lengths and bond angles.

14 -membered rings because of the difference in bond angles.

15 ucture with precisely configured, repeatable bond angles.

16 e all of the experimental bond distances and bond angles.

17 he reducing of the corresponding XCB and HCB bond angles.

18 related to an increase in Si[bond]O[bond]Si bond angles.

19 s a function of distance and "best" hydrogen bonding angle.

20 The formyl C-H...O bond angle (109 degrees) in this transition structure de

21 radical has a substantially larger C-Cipso-C bond angle [125.8(3) degrees vs. 120 degrees ], and a sh

22 binuclear species is nearly linear (Cu-O-Cu bond angle = 170 degrees) and the third (type II) copper

23 lving the most strained C2-C3-C4 bonds (with bond angle 94 degrees ) and the C2 bridgehead leading to

24 structures, with (C(9h)) and without (D(9h)) bond-angle alternation, both show a good agreement with

25 tructures, with (D(9h)) and without (D(18h)) bond-angle alternation, can be excluded.

26 retical model geometries, including possible bond-angle alternation: D(18h) cumulene, D(9h) polyyne,

27 e distortion/interaction model combined with bond angle analysis will enable predictions of cycloocty

28 A combination of the decrease in Si-O-Si bond angle and an increase in the carbon incorporation w

29 associated with the increase of both Co-O-Co bond angle and Co-O bond length weakens the crystal-fiel

30 jor changes of the average local structures (bond angle and coordination numbers), gradually transfor

31 ggest a correlation between decreased alkyne bond angle and increased cyclooctyne reactivity.

32 idging that compresses the equatorial F-Cl-F bond angle and increases the barrier toward equatorial-a

33 rismatic, and although deviations from ideal bond angles and bond lengths are frequent(6), alternativ

34 d out of the C'-N-Calpha plane, the hydrogen-bond angles and distances were recalculated and shown to

35 The Mn-O bond angles and lengths determined from density function

36 undistorted 180 degrees out-of-plane Sn-I-Sn bond angles and low octahedral distortions compared to o

37 arising from a wide distribution of Cr-O-Cr bond angles and the consequent metallization through fre

38 2H NMR line shape due to the distribution of bond angles and the orientational disorder of the membra

39 producibility of inter-atomic distances, and bond angles and torsions of the retinal, lends credibili

40 ying the local distortions, i.e., octahedral bonding angle and length.

41 works requiring unrealistic bond lengths and bond angles), and that an effective 'filtering' process

42 nt interoctahedra distortions (i.e., Pb-I-Pb bond angles), and therefore significant spin splitting.

43 e bond reported to date, a large Mn-Sn-Caryl bond angle, and a long Sn-Cl bond of the trigonal-planar

44 ch a triplex is consistent with bond length, bond angle, and energetic restrictions (stacking and hyd

45 lecular geometry and to access bond lengths, bond angles, and a bowl depth.

46 re with a wide distribution of bond lengths, bond angles, and five-, six-, seven- and eight-member ri

47 cs approach and assuming fixed bond lengths, bond angles, and peptide bond torsions, as well as ignor

48 The backbone bond lengths, bond angles, and planarity of a protein are influenced b

49 C and axial Co-N bond lengths and the Co-C-C bond angle are quite similar to those in AdoCbl.

50 The computed bond angles are close to the canonical approximately 140

51 the most weakened bonds, relieving stress on bond angles) are explored.

52 related to the changes in the Bi-Te bond and bond angle as function of pressures.

53 The bond angle at carbene is opened from about 142 degrees (

54 The longer C-S bond lengths and smaller bond angles at C-S-C, as compared to C-CH(2)-C, lead to

55 Specifically, the distortion in the internal bond angles at each of the Csp atoms was strongly influe

56 The bimodal distribution of O-Cu-O bond angles at the tetrahedral site (distinct from what

57 bond lengths is 0.009 A and 0.5 degrees for bond angles based on an unrestrained full-matrix least-s

58 e-NO bond length (r) of 1.79 A and an Fe-N-O bond angle (beta) of 136 degrees -137 degrees.

59 ent with a transition structure with a large bond angle between the entering and leaving groups aroun

60 ies and structural parameters (bond lengths, bond angles, bond torsions) of the 10 envelope forms of

61 Thus, modifying the bond angles by physical pressure or strain can tune the

62 ts are generally characterized by large ArNH bond angles (ca. 130-132 degrees ) and an NH bond that i

63 als with tethered nucleophiles where a large bond angle can be accommodated.

64 tronic bandwidth due to counterlayer-induced bond-angle changes.

65 s in the honeycomb structure of Cu2IrO3 with bond angles closer to 120 degrees compared to Na2IrO3.

66 ew forms of anisotropy including alternating bond angles, configurable patchiness, and uniform roughn

67 monium groups and the corresponding dihedral bond angles connecting the naphthyl and ammonium groups,

68 which revealed an 82.6(2) degrees Y-CH2-CH3 bond angle consistent with an agostic structure in the s

69 , with nanoparticles as linkable "monomers"; bond angles determined by directional internanoparticle

70 X-ray results indicate a small bond angle difference between the C-S-C angle of thiophe

71 A simple bond angle difference captures the distortion-driven glo

72 and various structural parameters including bond angles, dihedral angles, bond lengths, and interato

73 e traditional concepts of protein structure (bonds, angles, dihedrals, etc.) and treat the protein as

74 perovskites, we demonstrate that a specific bond angle disparity connected with asymmetric tilting d

75 of the crystal from the bond saturation and bond angle distortions, and follow its evolution through

76 a few coordination defects (<=1%), a narrow bond-angle distribution of width 9-11.5 degrees , and an

77 arest-neighbor coordination number while the bond angle distributions broaden and shift to smaller an

78 The evolution of bond angle distributions, interatomic distances and coor

79 nductor literature relating T(c) to As-Fe-As bond angles does not explain the observed differences in

80 nor atom bond distance that induces nonideal bond angles due to the rigidity of the ligands.

81 ced increasing stress by experiencing larger bond-angle excursions.

82 Thus, the VSEPR model for predicting the bond angle for the Group 2 dihalides is good to on the o

83 all of the known ranges of bond lengths and bond angles for a given type of metal complex.

84 The interglycosidic bond angles for all three compounds are comparable.

85 B3LYP systematically predicts larger C-C-C bond angles for these compounds than either MP2 or CCD.

86 nd]C, largest deviation of C-C[triple bond]C bond angle from linearity, and smallest C[triple bond]C

87 with average deviations of bond lengths and bond angles from ideal values of 0.013 A and 3.1 degrees

88 site (distinct from what is seen for O-Mn-O bond angles) further reveals a hidden distinction betwee

89 onal dynamics (conformation change), and the bond angles gamma = angle(C3-N4-C5) and epsilon = angle(

90 magnetism especially within the framework of bond angle geometry and spin-charge-orbital reconstructi

91 magnetism arising d-orbital occupations, and bond angle geometry.

92 th a short H...O distance (<2.7 A) and a CHO bond angle greater than 130 degrees is observed, thus sh

93 crystal structures indicate that the Sn-I-Sn bond angles have a clear influence over the optical gap;

94 rent populations that likely differ in Fe-NO bond angle, hydrogen bonding, or the geometry of the ami

95 riptor does not directly relate to the M-N-C bond angle, illustrating the shortcoming of evaluating b

96 degrees, 5 degrees, 0.5 A and 5 degrees for bonds, angles, improper, NOE and cdihe, respectively) we

97 Our results show that the C-C-C bond angle in the glassy carbon remains close to 120 deg

98 7A mutant together predicted that the Fe-N-O bond angle in the mutant is larger than that of the Arg-

99 ulations, we find that pressure modifies the bond angles in a way that increases the lK/Jl ratio and

100 evident from very widely dispersed Cl-Nb-Cl bond angles in AIMD simulations at 300 K.

101 possible variations in the bond lengths and bond angles in NFO during the growth process, and (iii)

102 Bond angles in our structure suggest that N1 is protonat

103 an independent experimental estimate for the bond angles in the molecule.

104 equence of the unique atomic arrangement and bond angles in the structure.

105 ibuted to the smaller CH(3)(-)N [bond] CH(3) bond angles in the transition states.

106 The P-Pd-P bond angle indicates that the complex is bent (174.7 deg

107 edra and the associated subtle variations in bond angles influence the acid strength, quantitative in

108 The bending of the C-C[triple bond]C bond angle is largest for the gold, followed by Cu and A

109 We show that this bond angle is strongly affected by the second coordinati

110 A 10 degrees increase in the Fe-N-N bond angle is sufficient to account for the spectral dif

111 a a Cys401(K10) disulfide link, although the bond angle is unanticipated.

112 to disorder in the inter- and intraoctahedra bond angles/lengths.

113 In particular, using direct bond-angle mapping we report direct observation of struc

114 d length of 1.45+/-0.02 angstrom and a C-N-C bond angle of 118 degrees +/-4 degrees .

115 utral diazenyl radicals showed a nominal CNN bond angle of 120 degrees and variations in the CN and N

116 plet state had a slightly bent central C-C-C bond angle of 167 degrees, whereas this angle in the sin

117 All levels of theory predicted a CNN bond angle of 180 degrees in the cation.

118 larger by 13.0 degrees compared to the P-P-P bond angle of 60.0 degrees in P(4).

119 to those in P(4) by 3.6 pm, while the P-N-P bond angle of 73.0 degrees is larger by 13.0 degrees com

120 irradiation caused a decrease in the Si-O-Si bond angle of silica, similar to the effects of applied

121 Additionally, bond angles of the pyrroline ring suggest that after acy

122 -bond imposes distinct restrictions upon the bond angles of the reacting centers to prevent the cyclo

123 Internal bond angles of the semirigid bridge between halogen bond

124 The bond angles of the transoid CC triple bond were calculat

125 lanar carbene and carbzole ligands and C-M-N bond angles of ~180 degrees .

126 e attributed to a widening of the exo-cyclic bond-angles of the diene carbons.

127 This indicates that the bonding angle of Se-Fe-Se (Te) and the distance of Te (o

128 ible parameters, such as the bond length and bonding angles, offers an elegant method to tailor compe

129 gap; however, the influence of these Sn-I-Sn bond angles on the transport energies is dwarfed by the

130 Highly bent Fe-N-O bond angles or very long Fe-NO bond lengths seem unlikel

131 ven more when additional prediction tasks of bond angle predictions were added.

132 ificantly different as a result of the small bond angles preferred by divalent sulfur, and this accou

133 ed to calculate Fe-NO bond length and Fe-N-O bond angle probability surfaces (Z-surfaces) for a nitro

134 anging from 2.21 to 2.31 angstrom and O-Pb-O bond angles ranging from 72 degrees to 75 degrees .

135 and 1.63 from ideality for bond lengths and bond angles, respectively.

136 through tightening of the inter-tetrahedral bond angle, resulting in high compressibility, continual

137 ial chalcogen positions revealed a change in bonding angles, resulting in crystallographic strain pos

138 on between cycloalkene acidities and allylic bond angles reveals that energetically this is not case,

139 formation of the Pb-X bond length and X-Pb-X bond angles, sees the formation of VF color centers whos

140 The native structure revealed a scissile bond angle (tau) of 158 degrees, which is close to the r

141 d changes in the macrocycle bond lengths and bond angles, termed in-plane nuclear reorganization (IPN

142 nger C-O bond distances and more acute C-O-C bond angles than any reported alkyloxonium salt.

143 metal distances and lower metal-oxygen-metal bond angles than are seen in the more familiar perovskit

144 coplanar with the phenyl ring and have ArNH bond angles that are more acute (ca. 110-111 degrees ).

145 dency to display acute interligand, Ch-M-Ch, bond angles that are often well below 90 degrees .

146 rogen-bond distance, R(HO), and the hydrogen-bond angle, theta(NHO), is observed when the X-ray cryst

147 eractions are tuned by modifying the Ni-O-Re bond angles through Ca doping.

148 p engineering is achieved by controlling the bond angles through the steric size of the molecular cat

149 electric field predicted to yield an atomic bond angle tilt associated with this point defect struct

150 namely, polarization of the halogen and the bond angle to the anion.

151 ngth (and hence energy) of bonds, as well as bond angles to functional properties of materials.

152 and the angular relationships of individual bond angles to the axes describing the spatial distribut

153 crystallography revealed a 180 degrees U-N-O bond angle, typical for (NO)(1+) complexes.

154 ries were computed, and the bond lengths and bond angles were calculated.

155 ' conformation, wherein the inter-glycosidic bond angles were held constant at the mean of the known

156 over 7560 members, in which bond lengths and bond angles were taken from the database rather than sim

157 we analyzed the relationship between alkyne bond angles, which we determined using X-ray crystallogr

158 uilding blocks with fixed or relatively free bond angles, ZOF-1 with the zeolitic crb net has been su