ライフサイエンスコーパス: bond dissociation energy

1 is calculated to have a remarkably small C-H bond dissociation energy.

2 rmodynamic cycle to afford the homolytic C-H bond dissociation energy.

3 carbons characterized by relatively high C-H bond dissociation energies.

4 is in accordance with their generally higher bond dissociation energies.

5 < E(a)(4-O-5), vary proportionally with the bond dissociation energies.

6 are also predicted to have unusually low C-H bond dissociation energies.

7 in many cases, reanchored or adjusted to 0 K bond dissociation energies.

8 mental and computational data related to C-C bond dissociation energies.

9 exhibit a strong correlation with their C-H bond dissociation energies.

10 is procedure is most often used to determine bond dissociation energies.

11 nerate important thermochemical data such as bond dissociation energies.

12 acenaphthylene's (10H) first and second C-H bond dissociation energies (117 +/- 4 and 84 +/- 2 kcal

13 measurement of metal or halide ionic adduct bond dissociation energies and for the measurement of bo

14 The properties include the bond dissociation energies and ionization potentials, an

15 these radical species was quantified through bond dissociation energies and relative rotational energ

16 s has allowed the determination of Ni-C(NHC) bond dissociation energies and the synthesis of various

17 nts, Hammett plots, and correlation with C-H bond dissociation energies and with support by DFT calcu

18 transition-state geometry (related to the CX bond-dissociation energy) and to the interaction between

19 positions of arenes correlated with the C-H bond dissociation energies, and Hammett correlations for

20 earance of plots of KIE(exp) against the C-H bond dissociation energy, and its origins are discussed.

21 ted for a homolytic process given known Co-C bond dissociation energies; and was of broad scope with

22 Particle-size-dependent metal-ligand bond dissociation energies are another implication from

23 Theoretical bond dissociation energies are determined from single-po

24 Acidities, electron affinities, and bond dissociation energies are reported, and the followi

25 rate of substrate oxidation on the substrate bond dissociation energy as compared to other metal comp

26 The magnitude of the bond dissociation energy as well as the inability to obs

27 pendent thermodynamic evaluations of the O-H bond dissociation energies (BDE(OH)) for the correspondi

28 dicals were calculated at 298 K to determine bond dissociation energies (BDE) and radical stabilizati

29 The effect of remote substituents on bond dissociation energies (BDE) is examined by investig

30 Computation of C-Br bond dissociation energies (BDE) of the complexed and un

31 ndered coupling partners with relatively low bond dissociation energies (BDE) such as dicumyl peroxid

32 ese values were used to re-evalulate the O-H bond dissociation energy (BDE(OH)) of the corresponding

33 The O-H bond dissociation energy (BDE) and ionization potential

34 his heat of formation was used to derive the bond dissociation energy (BDE) at the 5-position of m-be

35 ured heat of formation indicates a third C-H bond dissociation energy (BDE) in 1,3,5-trimethylbenzene

36 rmodynamic cycle to provide a bridgehead C-H bond dissociation energy (BDE) of 109.7 +/- 3.3 kcal/mol

37 ctivation is more favorable due to the lower bond dissociation energy (BDE) of C(acyl)-O bond, which

38 onally defined as the difference between the bond dissociation energy (BDE) of CH(3)-H, as a referenc

39 The alpha-C-H bond dissociation energy (BDE) of phenylcyclopropane (1)

40 cal cycle to determine the corresponding C-H bond dissociation energy (BDE).

41 rce is proportional to the difference in the bond-dissociation energies (BDE >94 kcalmol for homolyti

42 monotonically increase with increasing NO-H bond dissociation energy (BDENO-H) of the N-hydroxylamin

43 The homolytic bond dissociation energies (BDEs(O-H)) for the M(III/II)

44 For substrates with C-H bond dissociation energies (BDEs) > 92 kcal/mol, the act

45 These calculations reveal that W-H homolytic bond dissociation energies (BDEs) decrease with increasi

46 The homolytic bond dissociation energies (BDEs) for the acidic C-H bon

47 Bond dissociation energies (BDEs) for the O-H bonds of t

48 A new approach for calculating bond dissociation energies (BDEs) from ES-MS/MS measurem

49 and calculated (B)H(+)-18C6 and (18C6)H(+)-B bond dissociation energies (BDEs) is found with M06 theo

50 en the measured and calculated (AA)H(+)-18C6 bond dissociation energies (BDEs) is found with M06 theo

51 DFT calculations allowed estimating the Bond Dissociation Energies (BDEs) of each hydrogen atom

52 determine the activation energies (AEs) and bond dissociation energies (BDEs) of metal cation-trieth

53 Bond dissociation energies (BDEs) of O-H bond in the hyd

54 clotron resonance mass spectrometer, and the bond dissociation energies (BDEs) of the alpha C-H bonds

55 On the basis of the homolytic bond dissociation energies (BDEs) only, the (alpha)C-H b

56 Kinetic traces using substrates with bond dissociation energies (BDEs) up to 80 kcal mol(-1)

57 m differences in reaction exothermicities or bond dissociation energies but via lowering the reaction

58 r, analysis of a comprehensive recent set of bond dissociation energies computed by Coote and co-work

59 observed with upper limits for the quantity bond dissociation energy - electron affinity (BDE - EA)

60 t agreement between theory and experiment on bond dissociation energies, energy disposal in fragments

61 The calculated bond dissociation energies for breaking the C-N bond are

62 = 4 kcal/mol) is a consequence of normal C-H bond dissociation energies for cyclobutane (100.6 kcal/m

63 Both C-H bond dissociation energies for cyclobutene were measured

64 The effective FeO-H bond dissociation energies for FeTMPS-II and FeTDClPS-II

65 lds that are directly related to 0 and 298 K bond dissociation energies for M(+)-adenine after accoun

66 tions are interpreted to extract 0 and 298 K bond dissociation energies for the M(+)-AAA complexes af

67 A series of calculated O-O, C-O, and O-H bond dissociation energies (G2) point to special problem

68 Quantitative trends in bond dissociation energies have been identified for five

69 ermic reaction cross sections yields the 0 K bond dissociation energies in eV (kJ/mol) of D(0)(Pt(+)-

70 ison, the calculated sec-C-H and -C-CH(3) G2 bond dissociation energies in propane are 100.3 and 90.5

71 etermination of the homolytic gas-phase Co-C bond dissociation energies in the related adenosyl- and

72 The xenon-fluoride bond dissociation energy in XeF3- has been measured by u

73 ermodynamic measurements show that Au(III)-X bond dissociation energies increase in the order X = I <

74 .9 kcal mol(-1) for the first and second C-H bond dissociation energies of 1-phenylcyclobutene, and a

75 ith the Co(+)-PR(3) (R = CH(3) and C(2)H(5)) bond dissociation energies of 2.88 +/- 0.11 and 3.51 +/-

76 The computed bond dissociation energies of a larger series of halo-he

77 Bond dissociation energies of alkali metal ion-halouraci

78 Although the C-H bond dissociation energies of alkanes have been widely e

79 nsible for the observed variation in the C-H bond dissociation energies of alkanes.

80 is favored by a reasonable match between the bond dissociation energies of both the main group and tr

81 nal energy distributions from which accurate bond dissociation energies of dimers and trimers and ene

82 n the range of 20-22 kcal mol(-)(1), and the bond dissociation energies of ROONO to form an alkoxy ra

83 the sulfuranyl radical intermediates and the bond dissociation energies of the alkyl and aryl bonds.

84 s of the model compounds show that the C1-C2 bond dissociation energies of the beta-1 lignin model co

85 On the other hand, the mean bond dissociation energies of the C-F bonds increase as

86 ot the lowest homolytic X-H (X = heavy atom) bond dissociation energies of the hydrogen-atom donors.

87 f the intrinsic interaction energies and the bond dissociation energies of the metal-ligand bonds in

88 Ab initio calculations of heterolytic bond dissociation energies of the peroxyl groups of smal

89 The structures and theoretical bond dissociation energies of these complexes are determ

90 The B-H bond dissociation energy of an NHC-borane complex has be

91 This is likely due to the difference in bond dissociation energy of the abstracted hydrogen atom

92 orrelation between the rate constant and the bond dissociation energy of the C-H bonds in the substra

93 The O-H bond dissociation energy of the Fe(II)-OH2 complex was e

94 f nearly 73 kcal/mol for the decrease in the bond dissociation energy of the O-H bond in the Sm(II)-w

95 sigma-radicals with an estimated heterolytic bond dissociation energy of the S therefore O bond on th

96 The calculated adiabatic homolytic bond dissociation energy of this strained bond is only 6

97 nnulated derivatives have remarkably low C-H bond dissociation energies (only 18-34 kcal mol(-1) for

98 of oxidizing a series of alkanes having C-H bond dissociation energies ranging from 99.3 kcal mol(-1

99 oleic acid, scales best with the substrates' bond dissociation energies, rather than pK(a)'s, suggest

100 nventional radical stabilization analysis of bond dissociation energies requires that they become mor

101 nization energy of O2 is more than twice its bond dissociation energy, so O2+ likewise cannot be ther

102 Comparison of the C-F and C-Cl homolytic bond dissociation energies suggests that an important th

103 TM(cAAC)2], but the cations have much higher bond dissociation energies than the neutral molecules.

104 substrates determined the H-OFe(IV)-4-TMPyP bond dissociation energy to be approximately 100 kcal/mo

105 results were compared to computer-generated bond dissociation energies using Becke-style three-param

106 I/I) redox potentials and the carbon-halogen bond dissociation energies were observed.

107 vercome the large, unfavorable cobalt-carbon bond dissociation energy, which biases the reaction in t