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 nly used sorbents, and the implementation of thermochemical analysis for this purpose are all novel a

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

5 A thermochemical analysis of synergistic anion exchange ha

6 Herein we describe a thorough thermochemical analysis of the (de)hydrogenation catalys

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

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

9 Based on the kinetic and thermochemical analysis presented for TEA(*) and TEOA(*)

10 Thermochemical analysis suggests a concerted proton-elec

11 ully predicted by a combined theoretical and thermochemical analysis, assessment of the bonding withi

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

13 cal formalisms detailed herein is general to thermochemical and electrochemical reactions and encapsu

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

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

16 Reported here are thermochemical and kinetic analyses of a new pincer-liga

17 The study provides thermochemical and kinetic data for quantitative assessm

18 Thermochemical and kinetic data were used to assess anti

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

20 ilizes this reactive ion and establishes the thermochemical and kinetic parameters of PCET in a conde

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

22 , properties that increase its resistance to thermochemical and mechanical stresses.

23 According to thermochemical and other arguments, the TEMPOH reaction

24 Thermochemical and spectroscopic characterization reveal

25 Additional thermochemical and spectroscopic parameters are also dis

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

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

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

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

30 Overall, this study provides a structural, thermochemical, and mechanistic foundation for the chara

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

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

33 accretion correlate with locations of hotter thermochemical anomalies in the asthenosphere beneath th

34 es promise to perform better in electro- and thermochemical applications than those synthesized by co

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

36 selectively depolymerized using conventional thermochemical approaches, as it is difficult to control

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

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

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

40 cipates in hydrogen atom transfer chemistry; thermochemical benchmarking and reactivity studies suppo

41 relocate short pai-systems, often against a thermochemical bias, with simultaneous regio- and stereo

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

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

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

45 However, today's maturing thermochemical capture technologies have exceedingly hig

46 ffectively mitigate shortcomings inherent to thermochemical carbon capture processes, facilitating a

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

48 ne effectively on a molybdenum-zeolite based thermochemical catalyst, which is a very promising appro

49 ities limits the application of conventional thermochemical characterization techniques that can prob

50 talytically active TMC NPs, we evaluated the thermochemical CO(2) hydrogenation performance of alpha-

51 regarding performance using the EXPLO5 V6.04 thermochemical code and their sensitivity toward externa

52 ample, olivine, serpentine and augite) under thermochemical conditions to form Ca(2)SiO(4) and MgO.

53 onation method align with those predicted by thermochemical considerations.

54 These thermochemical constraints are in accord with observatio

55 ar ion-pairs is far from being an irrelevant thermochemical contributor.

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

57 Here we perform thermochemical convection calculations which show the va

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

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

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

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

62 One such thermochemical conversion method that appeals to this ap

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

64 stand complex materials capable of selective thermochemical conversion of CO(2) to methanol using a s

65 Also, thermochemical conversion processes such as biomass pyro

66 ested that peanut hulls can be valorized via thermochemical conversion to generate value-added produc

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

68 hysical structure of biomass as it undergoes thermochemical conversion.

69 Typically, such thermochemical conversions are reported to occur between

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

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

72 A new thermochemical cycle for determining excited-state hydri

73 rom the literature, in an uncommonly applied thermochemical cycle in order to reveal systematic trend

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

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

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

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

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

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

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

81 oncurrently, there have been advances in the thermochemical cycles and experimental methods used to m

82 Born-Haber thermochemical cycles indicate that these differences re

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

84 Expanded thermochemical cycles reveal that this bond weakening st

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

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

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

88 Thermochemical cycles that split water into stoichiometr

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

90 Thermochemical cycles, half-wave potentials, and measure

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

92 sm and rationalized through valence bond and thermochemical cycles.

93 ermined through equilibrium measurements and thermochemical cycles.

94 nd rationalized with valence bond models and thermochemical cycles.

95 rriers are approximated from high-throughput thermochemical data and structural and interfacial featu

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

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

98 Thermochemical data for benzocyclobutadiene (1) were obt

99 1; 2019, 141, 12682) established fundamental thermochemical data for the H atom abstraction reactivit

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

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

102 easily extracted from existing experimental thermochemical data or via inexpensive quantum mechanica

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

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

105 The structural and thermochemical data suggest that the aggregate effect of

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

107 metabolomic, transcriptomic, proteomic, and thermochemical data.

108 resent a catalyst-free, far-from-equilibrium thermochemical depolymerization method that can generate

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

110 Shiga toxin 1 subunit B pentamer, for which thermochemical dissociation barriers were previously rep

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

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

113 ntrinsic barriers (lambda), sterics, and the thermochemical e(-)/H(+) imbalance of the reactions, |De

114 Moreover, we identify the thermochemical electronegativity difference of compositi

115 Overall, these results are the first thermochemical, electronic, and mechanistic insights for

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

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

118 ies over a wide range in electrochemical and thermochemical energy conversion reactions.

119 e we show theoretically that the design of a thermochemical energy storage system for fast response a

120 For applications in thermochemical energy storage, salt hydrates are a promi

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

122 of the low (<1 ppb) abundance of SO(2) under thermochemical equilibrium compared with that produced f

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

124 critically influence regional heat-flux and thermochemical evolution around CMB, but remains poorly

125 ubducting plate controls many aspects of the thermochemical evolution of Earth.

126 antle's compositional structure reflects the thermochemical evolution of Earth.

127 ars' history and is expected to be linked to thermochemical evolution of Mars' iron-rich liquid core,

128 Through modeling of thermochemical evolution of Mars, we observe that only t

129 ave provided the basis for understanding the thermochemical evolution of the Moon.

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

131 ure, vitalizing regional mantle dynamics and thermochemical evolution, and growth of thermal plumes.

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

133 ic shock extract contained 'troponin C', and thermochemical extract contained two additional potentia

134 nable alternative to environmentally harmful thermochemical extraction, but is currently not very eff

135 ries reveal consistent observations with the thermochemical findings, pointing out to the lower extri

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

137 Over the past decade, the data and thermochemical formalisms presented in that review have

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

139 ctrochemical, structural, spectroscopic, and thermochemical foundation for the use of ambipolarity to

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

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

142 des, which is an important process for solar thermochemical fuels and numerous other applications.

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

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

145 Their thermochemical gas-phase unfolding barriers are also det

146 chromatography/mass spectrometry (GC/MS) and thermochemical gravimetric analysis (TGA).

147 On thermochemical grounds, carbon monoxide is expected to b

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

149 s potentially higher energy storage density, thermochemical heat storage (TCS) systems emerge as an a

150 This study provides direct evidence for the thermochemical heterogeneities in the upper mantle trans

151 tle is composed of non-uniformly distributed thermochemical heterogeneities which dampen the global s

152 rate enhancements have yet to be achieved in thermochemical heterogeneous catalysis.

153 rbital evolution of which is governed by the thermochemical history of Mars, through tidal interactio

154 Structural and thermochemical hybrid-DFT calculations indicated that be

155 The theoretical performance limits for solar thermochemical hydrogen within the charged defect mechan

156 These thermochemical insights guided the selection of conditio

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

158 Thermochemical lithography offers a versatile, reliable

159 plasma-enabled N(2) activation, and electro-thermochemical looping are three potential approaches fo

160 rable copper-based redox sorbents for use in thermochemical looping processes for combustion and gas

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

162 system, here we explore 2D hemispheric-scale thermochemical mantle convection models with self-consis

163 Multivalent metal oxides are promising thermochemical materials (TCMs) for energy storage and c

164 from the sun as heat by sensible, latent, or thermochemical means.

165 e scale of OCP measurements enables accurate thermochemical measurements for redox couples with irrev

166 Thermochemical measurements have been made that place th

167 nosized Ti-MIL-125 should lay the ground for thermochemical measurements of other colloidal systems,

168 Thermochemical measurements together with computational

169 Thermochemical measurements were carried out on all thre

170 ied activated carbon was synthesized using a thermochemical method and characterized by analytical te

171 ized via hydrothermal processing, an aqueous thermochemical method that converts biomass into a carbo

172 mplete Ulva sp. proteome, extracted with the thermochemical method.

173 Current thermochemical methods to generate H(2) include gasifica

174 Compared to traditional thermochemical methods, electrochemically mediated carbo

175 ssible to investigation by more conventional thermochemical methods.

176 iciency and identify areas of improvement, a thermochemical model for understanding net hydride trans

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

178 Further, thermochemical modeling predicts a direct liquid to soli

179 extraction, particle size fractionation, and thermochemical modeling.

180 Thermochemical models have predicted that Ceres, is to s

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

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

183 rections to align the data with other global thermochemical networks, which are not always clearly do

184 These thermochemical observations directly support a structure

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

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

187 The thermochemical parameter, bond dissociation enthalpy (BD

188 The experimental thermochemical parameters (deprotonation DeltaG, DeltaH,

189 These two thermochemical parameters (K(eq) and E(1/2)), in additio

190 master equation calculations and high-level thermochemical parametrizations.

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

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

193 ismically anomalous regions corresponding to thermochemical piles above the core-mantle boundary.

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

195 can later sink and accumulate into LLVP-like thermochemical piles atop Earth's core and survive to th

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

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

198 ommonly located well within the interiors of thermochemical piles.

199 efficiency was determined after 10 different thermochemical pre-treatments.

200 owever, many reactions with well-established thermochemical precedents remain difficult to achieve el

201 In contrast, thermochemical predictions based upon anharmonic frequen

202 Contrary to thermochemical predictions, we find that the oxidant abs

203 A thermochemical pretreatment process is often required to

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

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

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

207 However, replacing well-established thermochemical processes and achieving cost-competitive

208 ion (eCCC) offers a promising alternative to thermochemical processes as it circumvents the limitatio

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

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

211 omic potassium (K) in combustion and related thermochemical processes.

212 The thermochemical processing of this ternary composition, i

213 parent structures, an understanding of their thermochemical profile is missing.

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

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

216 These findings provide new constraints to thermochemical properties essential in arylium ground st

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

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

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

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

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

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

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

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

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

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

227 ed for rational tuning of the electronic and thermochemical properties of the 5f elements, reminiscen

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

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

230 a systematic analysis of the structural and thermochemical properties of these compounds, we investi

231 work represents a comprehensive study of the thermochemical properties of these nucleobases.

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

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

234 ect of treatment on chemical composition and thermochemical properties.

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

236 hydride transfer mechanism for this overall thermochemical reaction class.

237 tal strategy for electrifying a well-studied thermochemical reaction to unveil a new electrocatalyst

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

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

240 Our technique can be extended to a range of thermochemical reactions, such as NH(3) synthesis, for w

241 26) that are suitable for typical downstream thermochemical reactions.

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

243 m(2) electrolyzer stack is integrated with a thermochemical reactor for more than 45 h of operation,

244 roposed for the improvement of materials and thermochemical reactors.

245 To this end, herein we report a thermochemical recycling strategy of "degradation-upcycl

246 ction enthalpies and entropies, e.g., in the thermochemical reduction of oxides, which is an importan

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

248 Alleviating ground-state thermochemical restrictions through light-induced reacti

249 that were formerly dependent on experimental thermochemical results.

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

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

252 Here, we demonstrate the integration of thermochemical scanning probe lithography (tc-SPL) with

253 the integration of the DAC of CO(2) with the thermochemical splitting of water to produce CO(2), H(2)

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

255 carbazoles with high specific areas and good thermochemical stabilities.

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

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

258 hat are vital to constrain the structure and thermochemical state of the planet.

259 etal hydrides, hydroxides, or carbonates for thermochemical storage is discussed.

260 The thermochemical structure of lithospheric and asthenosphe

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

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

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

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

265 Thermochemical studies and analysis are interpreted to b

266 Thermochemical studies and in situ heating XRD experimen

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

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

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

270 These thermochemical studies serve as an accurate predictor of

271 ty of these materials, we performed detailed thermochemical studies, using room temperature solution

272 calculations, and additional mechanistic and thermochemical studies, we outline the explicit role of

273 Herein, we report a kinetic and thermochemical study of the oxygen reduction reaction (O

274 Thermochemical sulfate reduction experiments with simple

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

276 Conventional thermochemical syntheses by continuous heating under nea

277 It circumvents the drawbacks of thermochemical synthesis by reducing toxicity and levera

278 del towards highly efficient non-equilibrium thermochemical synthesis.

279 ed ab initio kinetics predictions and Active Thermochemical Tables analyses, demonstrates an importan

280 cation cyclization energies, via the Active Thermochemical Tables approach.

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

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

283 calcitrant, it must undergo a combination of thermochemical treatment such as Ammonia Fiber Expansion

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

285 The thermochemical values also reveal solvation effects that

286 ently, the OCP approach yields more accurate thermochemical values and should be general to any solve

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

288 We also report corrected thermochemical values for the (1)/(2)H(2)(g)/H(*)(1M) an

289 These thermochemical values have not heretofore been measured

290 These thermochemical values have not heretofore been measured

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

292 lated data, (iii) provides updated tables of thermochemical values, and (iv) discusses new conclusion

293 scheme of solar-driven H(2) production from thermochemical water splitting coupled with CO(2) DAC ma

294 is correlated with simulated results for the thermochemical water splitting cycle, highlighting the e

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

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

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

298 d and fabricated to conduct all steps of the thermochemical water-splitting cycle that produces close

299 A sodium-manganese-carbonate (Mn-Na-CO(2)) thermochemical water-splitting cycle that simultaneously

300 Co)O(3), which we predict may have favorable thermochemical water-splitting properties.