ライフサイエンスコーパス: thermochemical

1 These trends are consistent with thermochemical analyses of the transition states involve

2 The first thermochemical analysis by room-temperature aqueous solu

3 A thermochemical analysis indicates that the C-H bond form

4 A thermochemical analysis of synergistic anion exchange ha

5 A detailed thermochemical analysis of the alpha-cleavage and decarb

6 provide molecular constants required for the thermochemical analysis of the experimental data.

7 Thermochemical analysis suggests a concerted proton-elec

8 d optical tracking, along with excited-state thermochemical analysis, facilitates assignment of the m

9 Interpretation is assisted by thermochemical and IR spectral calculations using densit

10 isotope technique is employed to investigate thermochemical and isotopic changes in organic material

11 The study provides thermochemical and kinetic data for quantitative assessm

12 Herein, we report the results of thermochemical and kinetic experiments on an expanded se

13 This contribution investigates the thermochemical and kinetic parameters pertinent to the h

14 According to thermochemical and other arguments, the TEMPOH reaction

15 Additional thermochemical and spectroscopic parameters are also dis

16 ave not been estimated, because there are no thermochemical and very limited IR/Raman and temperature

17 Spectroscopic, structural, thermochemical, and computational studies show that the

18 Treated herein are synthetic, structural, thermochemical, and kinetic aspects of (i) the radical C

19 A combination of spectroscopic, thermochemical, and kinetic studies show that only those

20 The structural, thermochemical, and vibrational properties are studied u

21 theory are used to elucidate the structural, thermochemical, and vibrational trends throughout the ge

22 he energy of each intermediate, and standard thermochemical approaches were used to obtain the reacti

23 than molecular benzene structures; a simple thermochemical argument is given for why this is so.

24 Density functional calculations and thermochemical arguments favor a concerted [3+2] additio

25 electron transfer (CPET) mechanism, based on thermochemical arguments, isotope effects, and DeltaDelt

26 nsfer of a hydrogen atom, in addition to the thermochemical (bond strength) factors that have been pr

27 These values will be of direct use in thermochemical calculations and will help to aid in the

28 bination with quantum yield measurements and thermochemical calculations, this measurement provides a

29 gy intermediates and heat to drive important thermochemical carbon-chain-forming reactions.

30 These thermochemical constraints are in accord with observatio

31 ographically constrained numerical models of thermochemical convection and demonstrate that flow in t

32 Here we perform thermochemical convection calculations which show the va

33 probably required a power source other than thermochemical convection from secular cooling of the lu

34 Numerical models of thermochemical convection imply that a layer of material

35 Here we present numerical models of thermochemical convection in a three-dimensional spheric

36 rth's mantle and guide further research into thermochemical convection.

37 nant to be the temperature combined with the thermochemical conversion method.

38 Also, thermochemical conversion processes such as biomass pyro

39 ock; (2) an ASPEN model utilized to simulate thermochemical conversion via fast pyrolysis and catalyt

40 to obviate the otherwise general need for a thermochemical correction to the immediately precursory

41 Theoretical calculations via a thermochemical cycle agree well with reaction free energ

42 A new thermochemical cycle for determining excited-state hydri

43 ith the EA of the corresponding radical in a thermochemical cycle to determine the corresponding C-H

44 olds in the precursor cation and utilizing a thermochemical cycle to yield DeltaHf,298K = (325 +/- 8)

45 The thermochemical cycle utilizes redox reactions of Mn(II)/

46 We report a manganese-based thermochemical cycle with a highest operating temperatur

47 d Ni(II/I) and Ni(I/0) redox potentials in a thermochemical cycle, the free energy of hydrogen additi

48 heat of hydrogenation of 1, obtained from a thermochemical cycle, was found to be 91 +/- 9 kcal/mol.

49 has been determined by using a negative ion thermochemical cycle.

50 Born-Haber thermochemical cycles indicate that these differences re

51 The PA of 18C6 is derived from four thermochemical cycles involving the relative thresholds

52 of reaction obtained from Born-Fajans-Haber thermochemical cycles support the proposed decomposition

53 es, respectively, consistent with Born-Haber thermochemical cycles that define energy relations in ac

54 In this paper we present different types of thermochemical cycles that one can use for the purpose.

55 Thermochemical cycles that split water into stoichiometr

56 PL titrations, thermochemical cycles, and kinetic analysis (for the mcb

57 Thermochemical cycles, half-wave potentials, and measure

58 nd rationalized with valence bond models and thermochemical cycles.

59 eprot,aq) free energies were estimated using thermochemical cycles.

60 sm and rationalized through valence bond and thermochemical cycles.

61 The use of thermochemical data available in the literature shows th

62 Based on newly acquired thermochemical data for a series of uranyl peroxide comp

63 Thermochemical data for benzocyclobutadiene (1) were obt

64 An extensive family of thermochemical data is presented for a series of complex

65 The extensive set of thermochemical data is presented in free energy landscap

66 Thermochemical data ranged from +0.6 to -2.0 V vs FeCp(2

67 reaction mechanisms, and generate important thermochemical data such as bond dissociation energies.

68 tively, in keeping with predictions based on thermochemical data.

69 capture event), and (c) to provide complete thermochemical descriptions of dissociative electron att

70 t peak shapes and breakdown diagram, the 0 K thermochemical dissociation limit for CpMn(+) production

71 For both SAMs, despite the large thermochemical driving forces to exhaustively form inorg

72 umptions for all involved process steps (30% thermochemical energy conversion efficiency, 3000 kWh/(m

73 the economic and ecological performance are thermochemical energy conversion efficiency, the level o

74 e we model the production of HCN and H2CO by thermochemical equilibrium and chemical kinetic calculat

75 ntial methane (CH(4)) deficiency relative to thermochemical equilibrium models for the predicted hydr

76 aboratory, experiments reproducing the photo/thermochemical evolution of these ices are routinely per

77 um at 500-600 degrees C were investigated by thermochemical exposure in combination with X-ray photoe

78 hermodynamic "difference" rule, derived from thermochemical first principles, quantifying the differe

79 he data presented in this study provides the thermochemical foundation for the synthesis of NH3 by pr

80 tprint and the land requirement of the solar thermochemical fuel pathway are larger than the best pow

81 r holds the key for the commercialization of thermochemical fuel production.

82 For the production of solar thermochemical fuels arid regions are best-suited, and f

83 onformational isomers have been located, the thermochemical functions have been computed, and relativ

84 On thermochemical grounds, carbon monoxide is expected to b

85 de fuel/electrolysis cells and catalysts for thermochemical H2O and CO2 splitting.

86 Structural and thermochemical hybrid-DFT calculations indicated that be

87 pKa and equilibrium measurements define the thermochemical landscape for 5,6-isopropylidene ascorbic

88 Thermochemical lithography offers a versatile, reliable

89 ercially available collector, concentration, thermochemical lysis, size exclusion chromatography, flu

90 Thermochemical measurements have been made that place th

91 Thermochemical measurements together with computational

92 Thermochemical measurements were carried out on all thre

93 ssible to investigation by more conventional thermochemical methods.

94 Based on the reactivity results, a thermochemical model has been developed, which predicts

95 extraction, particle size fractionation, and thermochemical modeling.

96 Thermochemical models have predicted that Ceres, is to s

97 aboratory measurements, literature data, and thermochemical models, we examine the plausibility of th

98 Here, we demonstrate thermochemical nanopatterning of poly(p-phenylene vinyle

99 These thermochemical observations directly support a structure

100 m constants indicates that this effect has a thermochemical origin rather than being a purely kinetic

101 ing that they are long-lived, and may have a thermochemical origin.

102 The experimental thermochemical parameters (deprotonation DeltaG, DeltaH,

103 roduction of alternative fuels via the solar thermochemical pathway has the potential to provide supp

104 s been paid to thermal, thermomechanical and thermochemical patterning.

105 s discontinuous patches along the margins of thermochemical piles and have asymmetrical cross-section

106 ition have related these structures to dense thermochemical piles or superplumes.

107 rge-scale compositional heterogeneity (i.e., thermochemical piles).

108 ommonly located well within the interiors of thermochemical piles.

109 In contrast, thermochemical predictions based upon anharmonic frequen

110 A thermochemical pretreatment process is often required to

111 In principle, this tandem photochemical-thermochemical process, fitted with a photocatalyst bett

112 ons that would be available for the proposed thermochemical process, for example, the low quality nea

113 value that can be beneficially used for the thermochemical process.

114 gen and produce far less carbon dioxide than thermochemical processes.

115 s by utilizing CO(2) as a reaction medium in thermochemical processes.

116 The thermochemical processing of this ternary composition, i

117 The gas-phase thermochemical properties (tautomeric energies, acidity,

118 The gas-phase thermochemical properties (tautomerism, acidity, and pro

119 ic data, and 2), experimental measurement of thermochemical properties for human metabolites.

120 s introduced as an indicator of how well the thermochemical properties of a multi-isomer particle can

121 This represents the first measurement of the thermochemical properties of dialane, which has only rec

122 edicts the reaction thermochemistry by using thermochemical properties of model systems.

123 ecent computational studies of the gas-phase thermochemical properties of modified nucleobases.

124 ond-centered group additivity method for the thermochemical properties of PAHs significantly expands

125 The thermochemical properties of PAHs up to C(70) fullerene

126 A self-consistent estimation method for the thermochemical properties of polycyclic aromatic hydroca

127 , however, although the kinetic behavior and thermochemical properties of TAA and analogous esters ha

128 Accordingly, the thermochemical properties of the (poly)fluoro-, (poly)ch

129 Reactivity and thermochemical properties of the ion indicate a phenyl-l

130 compositional, vibrational, structural, and thermochemical properties of these compounds were studie

131 lts establish the possibility of using these thermochemical properties to predict reactivity in relat

132 might have been expected to worsen predicted thermochemical properties, but in fact they are improved

133 redicted equilibrium geometries, approximate thermochemical quantities for dissociation of the centra

134 erimentally for In2O3-x(OH)y compared to the thermochemical reaction.

135 This study demonstrates that controlled thermochemical reactions can delicately tune the topolog

136 ould also be a potential candidate for solar thermochemical reactions.Solid-state entropy of reductio

137 and Phe, respectively, using pyridine as the thermochemical reference ligand.

138 that were formerly dependent on experimental thermochemical results.

139 yclic anhydride chromophores, undergo facile thermochemical ring opening to fused gamma-lactones.

140 The solar thermochemical route also promises to be an attractive m

141 nd sedimentary organic carbon based on their thermochemical stabilities and allows the determination

142 The adsorbed NO(2), on its part, affects the thermochemical stability of O vacancies, facilitating th

143 There is no direct relationship between thermochemical stability of porphyrinoids and their macr

144 es can be of deep origin--probably rooted on thermochemical structures in the lower mantle.

145 that Earth's subduction history can lead to thermochemical structures similar in shape to the observ

146 shown, however, that such models can lead to thermochemical structures that satisfy the geometrical c

147 tracks arise from asymmetric deformation of thermochemical structures under the Pacific between 100

148 Thermochemical studies and analysis are interpreted to b

149 oncerned with computational and experimental thermochemical studies of azepan and azepan-1-ylacetonit

150 Reported herein are thermochemical studies of hydrogen atom transfer (HAT) r

151 Thermochemical studies of OAT to 1 show that the V-O bon

152 Thermochemical sulfate reduction experiments with simple

153 These results support an origin other than thermochemical sulfate reduction for the mass-independen

154 + CH(3)Br --> CH(3) + ClBr(-) rises from its thermochemical threshold at 1.9 +/- 0.4 eV, showing near

155 ation integrating ab initio simulations with thermochemical titrations and XAFS spectroscopy to under

156 tructure of PdNi nanoalloys under controlled thermochemical treatments and CO reaction conditions.

157 The thermochemical values also reveal solvation effects that

158 It now appears that such thermochemical values for guanosine binding and activati

159 half cells, thereby establishing a ladder of thermochemical values that are referenced to the standar

160 of metal oxides, such as ceria, for two-step thermochemical water splitting cycles.

161 s, photocatalysis, water-gas shift reaction, thermochemical water splitting, and organic reactions, c

162 ermodynamic efficiency of ceria for two-step thermochemical water splitting.