ライフサイエンスコーパス: interatomic

1 This distortion of electron density off an interatomic axis is often described as a 'banana-bond.'

2 island growth mode because of the high Rh-Rh interatomic binding energy.

3 the unit cell volume, as well as in specific interatomic bond lengths and bond angles.

4 (6) polyhedra are highly distorted, with the interatomic bond lengths ranging from 1.690 to 1.847 A a

5 rain boundary, the large Bi atoms weaken the interatomic bonding by pushing apart the Cu atoms at the

6 Interatomic bonding is stronger in Cr2AlC than Zr2AlC bu

7 for characterizing the atomic structure and interatomic bonding of molecules associated with extraor

8 s are retained on large deformation but weak interatomic bonds lead to compromised strength.

9 Surface atoms have fewer interatomic bonds than those in the bulk that they often

10 ield sensitivity of the anharmonicity of the interatomic bonds that govern the probability of phonon-

11 nitrogen exhibits one of the strongest known interatomic bonds, while xenon possesses a closed-shell

12 energy based on accessible surface area and interatomic contact areas.

13 positions 10 and 97, which corresponds to 13 interatomic contacts.

14 A well-known example is interatomic Coulombic decay, where an excited atom relax

15 ), large static disorder and dynamical bond (interatomic) disorder that is poorly modeled within the

16 on, coupled with a >30 A decrease in maximum interatomic distance (D(max)) by small angle x-ray scatt

17 rience a progressive increase in the average interatomic distance and gradually settle to form dome-s

18 This is because the increased interatomic distance at dislocation cores raises the mig

19 orobenzo[g]chrysene, where the short 2.055 A interatomic distance between bay-region F-9 and H-8, dow

20 R methods, specifically in sorting ambiguous interatomic distance constraints into classes that defin

21 The interatomic distance constraints were all consistent wit

22 the crystal structure of ADP-kinesin, and by interatomic distance constraints.

23 e fundamental to further analysis, including interatomic distance distribution calculation and low-re

24 lysine-lysine (K-K) cross-linkers to obtain interatomic distance information.

25 y different from uncondensed atoms, with the interatomic distance larger than the average by about 10

26 spectroscopy could be broadly applicable for interatomic distance measurements in other spin-7/2-spin

27 Experimental data, such as interatomic distance measurements, are then used to sele

28 red amorphous Se(0) with a first shell Se-Se interatomic distance of 2.339 +/- 0.003 A.

29 sters embedded in helium droplets reveals an interatomic distance of 3.65 A, much closer to the value

30 ies was improved by the use of time-averaged interatomic distance restraints derived from (1)H NMR.

31 served on the globally derived Dmax (maximal interatomic distance), although under comparable conditi

32 es and functions were supported by sequence, interatomic distance, and B-factor information on intera

33 The extent of interaction is measured by interatomic distance, NBO second-order perturbative anal

34 binding of the two metals at an ultra-short interatomic distance.

35 etected on the radius of gyration or maximum interatomic distance.

36 irregular oscillations as a function of the interatomic distance.

37 tself as a stationary state at a preordained interatomic distance.

38 hat on average scales exponentially with the interatomic distance.

39 ngs (13.8 +/- 1.4 Hz for surface silica) and interatomic distances (3.04 +/- 0.08 A for surface silic

40 Deduced interatomic distances agreed closely with previous radia

41 The evolution of bond angle distributions, interatomic distances and coordination numbers are exami

42 rimental noise, FoXS explicitly computes all interatomic distances and implicitly models the first hy

43 of 2.3041(12) and 2.1949(28) A for the As-P interatomic distances and the P-P interatomic distances,

44 but technically challenging due to the small interatomic distances and the similar atomic numbers.

45 Although the interatomic distances are suggestive of agostic-type int

46 )/H(N), H(N)/H(alpha), and H(alpha)/H(alpha) interatomic distances as well as (1)H NMR chemical shift

47 following: (i) very close agreement between interatomic distances at the metal coordination site for

48 esonance spectroscopy, from which long-range interatomic distances can be estimated.

49 The interatomic distances constrain the Trp41 side-chain con

50 The Ge-Se interatomic distances extracted from XAS data show a two

51 cture reconstruction from precise unassigned interatomic distances for a range of clusters.

52 methodology for the measurement of specific interatomic distances from a combination of theoretical

53 nstrating the use of (17)O NMR to quantitate interatomic distances in a fully labeled dipeptide.

54 (FRET) provides a unique means of measuring interatomic distances in biological molecules in real ti

55 ls and already display significantly shorter interatomic distances in comparison to van der Waals (vd

56 ray absorption edge, can be used to identify interatomic distances in materials.

57 to the structure, light-triggered changes in interatomic distances in the azobenzene moiety are able

58 ies at intermediate angles, corresponding to interatomic distances in the range of 5-20 A, are partic

59 Analysis of the interatomic distances in the superconducting substance K

60 riments reveal a strong sensitivity of Tc to interatomic distances in the underdoped regime (x </= 0.

61 king of intermetallics: correlations between interatomic distances lead to the inability of a phase t

62 aphy; (ii) similarly close agreement between interatomic distances measured by EXAFS for the Pb(2+)-G

63 eptides showed significant deviations in the interatomic distances of critical electrophile-binding a

64 t, relatively large cutoffs for matching the interatomic distances of the stem residues have to be us

65 ructures with intralayer halogen bonds, with interatomic distances shorter than the sum of the van de

66 cluded were partial atomic charges and three interatomic distances that define the relative spatial d

67 ifts ((13)C and (15)N NMR) and corresponding interatomic distances which are combined into a 3D abstr

68 rt direct determination of how variations in interatomic distances within individual crystalline unit

69 differences were noted in the kringle/ligand interatomic distances within the monomeric components of

70 ion on the distribution of electron density, interatomic distances, and the orientation dependence of

71 the recolliding electron is on the order of interatomic distances, i.e., approximately 1.5 A, small

72 otoluene in DNA/RNA have indicated, based on interatomic distances, possible hydrogen bonding interac

73 an updated value of 2.1994(3) A for the P-P interatomic distances, reconciling conflicting literatur

74 r the As-P interatomic distances and the P-P interatomic distances, respectively.

75 an analysis of the lattice periodicities and interatomic distances, we rationalize why the Ba phases

76 d angles, dihedral angles, bond lengths, and interatomic distances.

77 lecular electron transfer process over large interatomic distances.

78 be weaker than deduced from the non-hydrogen interatomic distances.

79 ion at other contacts, resulting in nonideal interatomic distances.

80 l shifts in terms of polynomial functions of interatomic distances.

81 uding chemical shifts, torsional angles, and interatomic distances.

82 Upon folding, proteins develop a peak in the interatomic force distributions that falls on a universa

83 etical predictions, enabling us to probe the interatomic force parameters that are crucial to the pro

84 rdering of the lattice can occur because the interatomic forces are modified due to the excitation of

85 At high excitation densities, the interatomic forces that bind solids and determine many o

86 protein based on classical approximations of interatomic forces, giving researchers insight into prot

87 e by the number of atoms within the range of interatomic forces, is difficult to visualize directly b

88 with parametrized equations to describe the interatomic forces.

89 onding, which translates into changes in the interatomic forces.

90 g and statistical mechanics to determine the interatomic interaction energies of a molecular system e

91 ent metastable state of Ge2Sb2Te5 with muted interatomic interaction induced by a weakening of resona

92 These materials are characterized by weak interatomic interactions (van der Waals forces) between

93 The considerations of interatomic interactions alone cannot explain the fractu

94 of non-crystalline materials using accurate interatomic interactions and experimental information.

95 ion is shown to be superfluous when suitable interatomic interactions are present.

96 nd physical systems as a result of competing interatomic interactions can be used as templates for fa

97 more itinerant electrons to soften repulsive interatomic interactions in a tight space.

98 and (2) that potential sets used to describe interatomic interactions may be sufficiently accurate to

99 ling a significant influence of strong S...S interatomic interactions on the intramolecular distance

100 other proteins, and DNA, depend on specific interatomic interactions that can be classified on the b

101 e critical tests of our understanding of the interatomic interactions that underlie molecular biology

102 ode and structural compensations for altered interatomic interactions, in which lost TCR-peptide inte

103 m size and shape is strongly affected by the interatomic interactions.

104 us overcoming usual requirement for a strong interatomic interactions.

105 temperatures, arising from the hierarchy of interatomic interactions.

106 ng, as is information on the nature of their interatomic interactions.

107 e ratio of the interplanar spacing c and the interatomic, intraplanar spacing a of the h.c.p. lattice

108 Here, we argue that actually simple interatomic magnetic exchange interaction already contai

109 theoretical calculations are reported for an interatomic multi-atom resonant photoemission (MARPE) ef

110 sis, the target genes were mapped in complex interatomic networks representing molecular pathways, ce

111 landscape, can be related to the form of the interatomic or intermolecular potential.

112 of the metal-metal (M-M) bond distances and interatomic order-of Pt nanoclusters supported on a gamm

113 llowing quantitative characterization of the interatomic potential energy surface of the highly excit

114 The motion of atoms on interatomic potential energy surfaces is fundamental to

115 led mapping of the carrier density-dependent interatomic potential of bismuth approaching a solid-sol

116 ts the strength of the repulsive part of the interatomic potential, which can be determined from the

117 ideration of the finite-strain energy or the interatomic potential.

118 We believe that, by improving (i) existing interatomic potentials and (ii) currently available enha

119 lculations serve to test the validity of two interatomic potentials and to extend the scope of the DF

120 ines a new genetic algorithm using empirical interatomic potentials to explore the configurational ph

121 Using atomistic simulations with model interatomic potentials, we reveal a transition in the as

122 o far been based on the use of semiempirical interatomic potentials.

123 r within a free (noncoordinated) ligand: the interatomic separation between the N-donor metal-binding

124 and iodine fragments as a function of their interatomic separation set by the NIR-x-ray delay.

125 spatial wavelengths of the order of several interatomic spacings, rather than the macroscopic scales

126 fingers in two separate in vitro assays, and interatomic surface molecular modeling docked the compou

127 -) and the pyrimidine dimer by the method of interatomic tunneling currents.

128 DNA photolyase molecule, using the method of interatomic tunneling currents.