ライフサイエンスコーパス: heavy atom

1 high ligand efficiency (0.3-0.5 kcal/mol per heavy atom).

2 variant, within experimental error, with the heavy atom.

3 igand efficiencies from 0.442-0.637 kcal/mol/heavy atom.

4 cies (LE) between 0.48 and 0.23 kcal/mol per heavy atom.

5 entral atom that is being passed between two heavy atoms.

6 1,000,000-fold with the addition of only six heavy atoms.

7 rather than in the peptide plane defined by heavy atoms.

8 one atoms and 0.90 A (sigma = 0.122) for all heavy atoms.

9 pening of a cyclic hydrocarbon containing no heavy atoms.

10 0.41 A for backbone atoms and 0.88 A for all heavy atoms.

11 the backbone heavy atoms and 0.78 A for all heavy atoms.

12 A for the backbone atoms and 1.00 A for all heavy atoms.

13 A for backbone atoms and 1.42 +/- 0.16 A for heavy atoms.

14 for backbone heavy atoms and 0.83 A for all heavy atoms.

15 square deviation of 1.33 A over the backbone heavy atoms.

16 Calpha, C) atoms and 0.98 +/- 0.09 A for all heavy atoms.

17 0.30 A for backbone atoms and 0.71 A for all heavy atoms.

18 toms N, Calpha and C', and of 1.01 A for all heavy atoms.

19 for backbone heavy atoms and 1.02 A for all heavy atoms.

20 the backbone heavy atoms and 0.99 A for all heavy atoms.

21 ha, and C' atoms and 0.83 +/- 0.05 A for all heavy atoms.

22 backbone atoms and 1.10( +/- 0.08) A for all heavy atoms.

23 n was 0.75 A for backbone and 1.28 A for all heavy atoms.

24 tial energy surfaces, even in the absence of heavy atoms.

25 uantum yields, which can be promoted by core heavy atoms.

26 te (13)C chemical shifts for carbons bearing heavy atoms.

27 the ability to access inner-shell states of heavy atoms.

28 ered aldol transition state containing eight heavy atoms.

29 A for backbone heavy atoms and 1.1 A for all heavy atoms.

30 lipophilicity with the addition of only two heavy atoms.

31 is the largest determined ab initio without heavy atoms.

32 nce homology and a low RMSD for the backbone heavy atoms (0.648 A) in the crystalline state, subtle,

33 Heavy atom (13)C/(12)C kinetic isotope effects near unit

34 The B-factors for most heavy atoms agree well with experiment (Pearson correlat

35 e X-ray scattering intensity arises from the heavy atoms, allowing direct extraction of pairwise dist

36 Spin density on the heavy atoms allows for increased isotropic and spin-orbi

37 ,7R,9R,10R based on the X-ray structure of a heavy-atom analogue.

38 These, in fact, often represent a heavy atom and its associated hydrogens (i.e. a united a

39 ned by taking into account the effect of the heavy atom and the rate of cage geminate radical pair re

40 (residues 13-80) is 0.37 A for the backbone heavy atoms and 0.78 A for all heavy atoms.

41 that exhibits an rmsd of 0.51 A for backbone heavy atoms and 0.83 A for all heavy atoms.

42 ues in the domain is 0.52 A for the backbone heavy atoms and 0.99 A for all heavy atoms.

43 verage rms deviations of 0.59 A for backbone heavy atoms and 1.02 A for all heavy atoms.

44 rmsd of the structure is 0.7 A for backbone heavy atoms and 1.1 A for all heavy atoms.

45 e mean structure was 0.82 A for the backbone heavy atoms and 1.3 A for all heavy atoms (residues 1-26

46 age rmsd of 0.35 and 0.90 A for the backbone heavy atoms and all heavy atoms of residues 14-72, respe

47 an 4835 non-magnetic materials consisting of heavy atoms and low bandgaps.

48 luding photo-crosslinkers, chemical handles, heavy atoms and post-translational modifications, and th

49 Atomic groups, which subsume a heavy-atom and its covalently attached hydrogen atoms in

50 ed structures are within 1.0-1.5 A (backbone heavy atoms) and 1.5-2.0 A (all heavy atoms) rms deviati

51 and potentials, including four larger (27-28 heavy atoms) and more conformationally flexible photochr

52 ms, 0.86 A (sigma = 0.12) for all associated heavy atoms, and 0.43 A (sigma = 0.17) for the heme grou

53 lectron basis set for iron, 6-311G for other heavy atoms, and 6-31G for hydrogen atoms, BPW91 and B3L

54 ncide with the bisectors of their respective heavy-atom angles.

55 It is understood to be efficient when heavy atoms are present due to strong spin-orbit couplin

56 simulation of protein folding, in which all heavy atoms are represented as interacting hard spheres.

57 en pairs of residues whose C(alpha) atoms or heavy atoms are within a cutoff distance.

58 Phosphorescence data are consistent with heavy-atom assisted intersystem crossing.

59 Placing heavy atoms at the alpha-position decreases conductance,

60 efined, with the backbone (N, Calpha, C) and heavy atom atomic rms distribution about the mean coordi

61 xperiments, adding the chemical shift of the heavy atom attached to the hydrogen ((13)C or (15)N nucl

62 values to the presence of a large number of heavy atoms (Au) in the framework and the formation of m

63 hPgn K3 was determined via NMR spectroscopy [heavy atom averaged rmsd = 0.35 +/- 0.07 A (backbone) an

64 A residue-based and a heavy atom-based statistical pair potential are develope

65 ffects for a clinically realistic cluster of heavy-atom bearing nanoparticles is the total number of

66 In the cases where heavy atom bond cleavage occurs concomitantly, the quest

67 onors, but not the lowest homolytic X-H (X = heavy atom) bond dissociation energies of the hydrogen-a

68 involve a combination of proton transfer and heavy-atom bonding changes are normally categorized by w

69 from the rest of the molecule by inserting a heavy atom bridge.

70 can be tuned by the substituent groups (e.g. heavy atoms, carbonyl moieties) or by the out-of-plane v

71 in that they are derived from only a single heavy atom change in the structure.

72 The examples were chosen to highlight single heavy atom changes that improve activity, rather than th

73 t of X-ray diffraction from an unoriented 18-heavy atom cluster derivative of a yeast RNA polymerase

74 of the method depends on the mobility of the heavy atom cluster on the particle, on the precision to

75 Heavy atom clusters may be introduced in a general way b

76 Heavy atom clusters should also allow selection of image

77 The particles will be labeled with multiple heavy atom clusters to permit the precise determination

78 deviation of 1.50 +/- 0.19 A taken over all heavy atoms, compared to 3.5 +/- 1.1 A for the ensemble

79 ynthesized TaIrGe compound made of all-metal heavy atom compound.

80 ide range of chemical probes and reagents; a heavy atom-containing amino acid for structural studies;

81 reactive configuration along the classical, heavy-atom coordinate, from which the hydrogen transfers

82 The backbone and heavy atom coordinates of structurally ordered amino aci

83 ay crystallography are commonly derived from heavy-atom coordinates by assuming idealized geometries.

84 dicts imino N-H vector orientations from the heavy-atom coordinates of the base pair.

85 The electron density maps and heavy atom data revealed the conformation of the nonheli

86 rhodopsin, but vary over a wide range after heavy atom derivatisation, with a between 101.5 A and 11

87 ght protein by combining them with the other heavy atom derivative data (multiple isomorphous replace

88 allographic studies through the binding of a heavy atom derivative, tungstate.

89 g using both the SeMet-labeled protein and a heavy atom derivative.

90 ith anomalous scattering (MIRAS) using three heavy atom derivatives and refined against X-ray diffrac

91 determined by isomorphous replacement using heavy-atom derivatives of both the wild-type protein and

92 arismortui by using phases derived from four heavy-atom derivatives, intercrystal density averaging a

93 ure was solved using standard techniques for heavy-atom derivatization of protein crystals.

94 tional structure prediction and validated by heavy-atom derivatization.

95 tals, in analogy to the classic procedure of heavy-atom derivatization.

96 d by tungsten cluster compounds bound in one heavy-atom-derivatized crystal.

97 d redox active amino acids, glycosylated and heavy atom derived amino acids in addition to those with

98 tions of distances between C(alpha) atoms or heavy atoms derived from a large set of protein crystal

99 From this initial discovery, a directed heavy atom design principle is demonstrated that will al

100 Similarly, species with lone pairs on heavy atoms dominate the potential energy surfaces of Al

101 The photodimerization exhibits a significant heavy atom effect and also is sensitive to selective que

102 ships and to demonstrate the key role of the heavy atom effect in the design of TADF materials with s

103 fts and the change in the spin-orbit induced heavy atom effect of iodine compensate each other, and i

104 dependent correlation analysis and suggest a heavy atom effect of silver that rapidly depopulates an

105 e at room temperature, thanks to the boosted heavy atom effect operating in the close cyanine/Er pair

106 The heavy atom effect strongly suggests a Trp location withi

107 te halogen bonding can be made to direct the heavy atom effect to produce surprisingly efficient soli

108 By virtue of the "heavy atom effect", as the mass of the heterocycle appen

109 ystem crossing (ISC) is improved through the heavy atom effect, yet high quantum yields are achieved

110 sistent with an intersystem crossing-related heavy atom effect.

111 resulting in a shorter afterglow due to the heavy atom effect.

112 ate and suggests the occurrence of a mercury heavy atom effect.

113 R6WGR6 with poly(dABrdU) is diagnostic of a heavy atom effect.

114 ncreases the radiative rate constant via the heavy atom effect.

115 uorescence quenching often occurs due to the heavy-atom effect arising from the Pt(II)-based building

116 The external heavy-atom effect of brominated host molecules leads to

117 orescence quenching problem arising from the heavy-atom effect of Pt(II), and offers an alternative a

118 with particular emphasis on the "spin-orbit heavy-atom effect on the light-atom" NMR shift (SO-HALA

119 be this to a resonant, remote intermolecular heavy-atom effect that greatly increases the inter-syste

120 pairs investigated, there were no observable heavy atom effects, from which it is concluded there is

121 -ZF, and reductions of D, but no significant heavy atom effects.

122 Heavy-atom effects and secondary competitive interaction

123 When iodoaniline residues were incorporated, heavy-atom effects led to enhanced (1)O2 production.

124 ggest that the enthalpic contribution to the heavy atom environmental reorganizations controlling the

125 Addressing these issues by using heavy atoms exhibiting strong atomic spin-orbit coupling

126 e prepared which contained an intramolecular heavy atom for altering the fluorescence lifetimes to pr

127 0.12 A for backbone and 1.32 +/- 0.11 A for heavy atoms for amino acids 3-47.

128 f 0.25 A for the backbone and 0.61 A for all heavy atoms for residues Trp109-Gly263.

129 y verifies the X-ray diffraction study based heavy atoms formula, Au279S84, and establishes the molec

130 of the hydrogen positions relative to their heavy-atom frames considerably improves the fit of exper

131 indacene (BODIPY) dyes, recently proposed as heavy atom free photosensitizers for O(2)((1)Delta(g)) g

132 t ISC and long triplet excited lifetime in a heavy atom-free bodipy helicene molecule.

133 Heavy atom-free BODIPY-anthracene dyads (BADs) generate

134 Heavy-atom-free photosensitizers (HAF-PSs) based on thio

135 Despite significant effort, a majority of heavy-atom-free photosensitizers have short excitation w

136 for developing efficient near-infrared (NIR) heavy-atom-free photosensitizers.

137 er (PEG-Py) to encapsulate a semiconducting, heavy-atom-free pyrrolopyrrolidone-tetraphenylethylene (

138 gnificantly by the incorporation of a second heavy-atom group effecter.

139 mical structure for candidates with up to 30 heavy atoms has been reported previously by one of the a

140 The six-membered heavy atom heterocycles [Re(2)(CO)(8)(mu-SbPh(2))(mu-H)]

141 atize DNA or RNA by covalent attachment of a heavy atom (i.e., bromine at the C5 position of pyrimidi

142 tom in SECs might represent a non-functional heavy atom in an exotoxin group that has diverged from r

143 ng to the shielding effects by a neighboring heavy atom in diamagnetic systems, with particular empha

144 ientation of the planes associated with each heavy atom in interacting pairs.

145 ing the spin-orbit coupling associated to Br heavy atoms in 1,3,5,8-tetrabromopyrene (TBP), and the p

146 The heavy atoms in 2D-PEPI contribute a large spin-orbit cou

147 tems are related to the hybridization of the heavy atoms in an analogous manner to the hybridization

148 en overlaid onto (1R,5R,9S)-(-)-10 using the heavy atoms in the morphan moiety as a common docking po

149 d phases accurate enough to locate the bound heavy atoms in three derivatives using difference Fourie

150 dicals can be modulated by both polarity and heavy atom inclusion of the encapsulated guest.

151 Likewise, two other sites of heavy atom incorporation are observed.

152 effective tool for determining the extent of heavy-atom incorporation in proteins.

153 Heavy-atom incorporation is an essential and often rate-

154 With no requirement for heavy-atom incorporation, such experiments provide an at

155 etermine protein structure-the ionization of heavy atoms increases the local radiation damage that is

156 h a regular substrate and incorporate stable heavy atoms into new metabolites.

157 enhanced indirectly by the incorporation of heavy atoms into nonspin-bearing sites, where they can c

158 anced by spin-orbit effects arising from the heavy-atom iodine substituent.

159 ded that the absorption cross-section of the heavy atom is considerably larger than those of its neig

160 ture (Q15-A42) is 0.71 +/- 0.12 A and of all heavy atoms is 1.07 +/- 0.08 A.

161 neurin by Mn2+ and Mg2+ was compared using a heavy atom isotope analogue of the substrate p-nitrophen

162 Heavy atom isotope effect and computational studies show

163 Heavy atom isotope effects are a valuable tool for probi

164 Heavy atom isotope effects at C-2, C-3, and the amino ni

165 erium isotope effects at C2 of aspartate and heavy atom isotope effects at C2, C3, and the amino grou

166 y labeled materials has precluded the use of heavy atom isotope effects to investigate mechanisms of

167 -2 of aspartate and of D(2)O on the observed heavy atom isotope effects were determined.

168 Heavy atom isotope effects were measured for Mg2+ activa

169 ally rate-limiting, consistent with previous heavy atom isotope studies (22).

170 Heavy-atom isotope effects for both leaving groups have

171 ed dihydrofolates allowed the measurement of heavy-atom isotope effects for the reaction catalyzed by

172 and S18A have been studied by measurement of heavy-atom isotope effects in the substrate.

173 lcineurin has been studied by measurement of heavy-atom isotope effects in the substrate.

174 The heavy-atom isotope effects were measured by isotope rati

175 were studied using steady state kinetics and heavy-atom isotope effects with the substrate p-nitrophe

176 res >4 nm in length, far larger than typical heavy-atom KIEs for chemical reactions.

177 Extensive heavy atom kinetic isotope effect and leaving group depe

178 the triester dimethyl pNPPT was probed using heavy atom kinetic isotope effects.

179 Heavy-atom kinetic isotope effect (KIE) studies are cons

180 We now report the results of heavy-atom kinetic isotope effect measurements for the O

181 Heavy-atom kinetic isotope effects (KIEs) offer an exqui

182 on catalyzed by AS-B at pH 8.0, substitution heavy atom labels in the side chain amide of the substra

183 ith that, we overcome the need of artificial heavy atom labels, the main obstacle to a broader applic

184 ollected on a protein incorporating specific heavy-atom labels in 65% aqueous sucrose buffer can dram

185 Quantum mechanical tunneling (QMT) of heavy atoms like carbon or nitrogen has been considered

186 In addition to functioning as heavy atom markers in cross-sectional analysis by FIB an

187 The heavy-atom modification consisted of an intramolecular h

188 ion electrophoretic mobilities of the native heavy-atom-modified dyes were found to be very similar.

189 transfer undergoes several vibrations before heavy-atom motion completes the reaction.

190 the differing time scales for proton versus heavy-atom motion.

191 which the preferred reaction is dominated by heavy-atom motions.

192 ansition state for hydride transfer from the heavy atom must have an even smaller volume, measured he

193 mical descriptors: number of aromatic rings, heavy atoms, MWHBN (a descriptor comprising molecular we

194 lity to now begin to predict essentially all heavy atom NMR hyperfine shifts in paramagnetic metallop

195 n residues correlate with both the number of heavy atom (nonproton) gamma-substituents and with gauch

196 d in an antiparallel alignment, with the nth heavy atom of one side chain in registration with the (o

197 chain in registration with the (omega+2-n)th heavy atom of two adjacent chains ((omega <--> 2) packin

198 0.38 A for backbone atoms and 0.94 A for all heavy atoms of ordered residues 5-41 and 50-69.

199 Superposition of backbone heavy atoms of ordered residues relative to mean atom po

200 0.90 A for the backbone heavy atoms and all heavy atoms of residues 14-72, respectively.

201 lature from eight-membered cycloalkanes, the heavy atoms of the low-energy transition states are in c

202 re for the backbone atoms, and 1.2 A for all heavy-atoms of the dimeric core (helices 1 and 2) and th

203 The rms deviation between the heavy-atoms of the ten lowest-energy structures is 1.24

204 Although single heavy atoms on surfaces or supporting films have been vi

205 6 +/- 0.17 A, respectively, for backbone and heavy atom overlays of residues 1-34.

206 bearing nanoparticles is the total number of heavy atoms packed into the cluster.

207 per molecule is 4, and the average number of heavy atoms per side chain is 2.

208 The nature of the heavy atom perturbation, however, was found to be differ

209 p-probe method used p-dichlorobenzene as the heavy atom perturber, whereas the steady-state method us

210 Here, synchrotron XRD data provide all heavy-atom positions in (+)-catechin 4.5-hydrate and est

211 A final improvement to heavy-atom positions is provided by a geometry optimizat

212 tions of the crystallographically determined heavy-atom positions or ad hoc adjustments of the intrin

213 d in the presence and absence of an external heavy atom probe.

214 site-specifically labeling RNA with pairs of heavy atom probes, and precisely measuring the distribut

215 of molecular conjugation and introduction of heavy atoms promoted the generation of reactive oxygen s

216 l in cases where protein derivatization with heavy atoms proves to be problematic or synchrotron faci

217 lar system occurs predominantly locally on a heavy atom (provided that the absorption cross-section o

218 fills the core holes that are created in the heavy atom, providing further targets for inner-shell io

219 Here we demonstrate that carbon vs nitrogen heavy-atom QMT can even be competitive leading to two di

220 gest time, but recent evidence suggests that heavy-atom QMT does occur more frequently than typically

221 ent here the discovery of a new and distinct heavy-atom QMT reaction.

222 Moreover, the heavy-atom QMT takes place with considerable displacemen

223 providing evidence for a mechanism involving heavy-atom QMT through crossing triplet to singlet poten

224 structures with high accuracy (0.6-2.0 A all-heavy-atom r.m.s. deviation) in 18 cases.

225 s in stable radical chemistry have afforded "heavy atom" radicals, neutral open-shell (S = 1/2) molec

226 osed by the perovskite cage and behaves as a heavy atom rattling oscillator.

227 ourea has different chemical properties than heavy-atom reagents and halide ions and provides a conve

228 perpendicular to the membrane plane using a heavy atom refinement algorithm.

229 Here, we show that a single heavy atom replacement in the morphine core structure (O

230 ordinates combined with multiple isomorphous heavy atom replacement.

231 two virtual atom representations and one all-heavy atom representation.

232 r the backbone heavy atoms and 1.3 A for all heavy atoms (residues 1-26, 37-60).

233 r the backbone (N, C', and C(alpha)) and all heavy atoms (residues 4-224) of 0.69 +/- 0.09 and 1.04 +

234 These pseudo-4D heavy-atom resolved [(1)H, (1)H]-NOESY experiments conta

235 d (0.66 and 0.97 D rmsd for backbone and all heavy atoms, respectively) with a compact hydrophobic co

236 and 0.90 angstroms for the backbone and all heavy atoms, respectively, for residues 2-83.

237 +/- 0.13) angstroms for the backbone and all heavy atoms, respectively, of all residues except 28 to

238 92 +/- 0.20 A for the backbone atoms and all heavy atoms, respectively, of all residues except Ala32-

239 .07 and 0.84 +/- 0.11 A for the backbone and heavy atoms, respectively.

240 11 +/- 0.19 A for the backbone atoms and all heavy atoms, respectively.

241 .31 and 1.35 +/- 0.34 A for the backbone and heavy atoms, respectively.

242 98 +/- 0.23 A for the backbone atoms and all heavy atoms, respectively.

243 inhibitor fosimdomycin to Mn(2+)-DXR (ligand heavy atom rms deviation = 0.90 A) and is poised to inte

244 to represent the structure had backbone and heavy atom rms deviations of 0.46 +/- 0.11 and 1.02 +/-

245 A (backbone heavy atoms) and 1.5-2.0 A (all heavy atoms) rms deviations from reported x-ray and/or N

246 the free DNA structure and the 2:1 complex (heavy atom RMSD 1.55 A) reveal that these sequence-depen

247 CHA was solved via NMR spectroscopy (protein heavy atom RMSD approximately 0.93 +/- 0.12 A).

248 parameter, consistent with a higher backbone heavy atom RMSD of approximately 1.22 A (vs 0.84 A overa

249 The average backbone and heavy atom rmsd values of the 20 structures (residues 7-

250 The average backbone and heavy atom rmsd values of the 20 structures (residues 9-

251 The backbone heavy-atom RMSD for residues L14 through M21 is 0.09 +/-

252 ugh M21 is 0.09 +/- 0.12 A, and the backbone heavy-atom RMSD for the whole peptide is 0.96 +/- 2.45 A

253 xperimentally determined structures with all-heavy-atom RMSDs ranging from 2.4 to 6.5 A.

254 e root mean square deviation of 0.46 A and a heavy atom root mean square deviation of 0.93 A.

255 lation stays true to the crystal form with a heavy atom root mean-squared deviation of 2 A.

256 reproduce X-ray ligand positions within 2.0A heavy atom root-mean-square deviation.

257 test proteins, decoys with 1.7- to 4.0-A all-heavy-atom root mean-square deviations emerge as those w

258 The heavy atom scatterer peak was now prominent in the FT an

259 at 2.7 A was suggestive of the presence of a heavy atom scatterer such as Cu.

260 d by lanthanide polyoxometalates (LnPOMs) as heavy atoms source, which could be used alternatively to

261 different from that via ISC originating from heavy atom spin-orbit coupling.

262 the excited vibrational bending (01(1)0) and heavy atom stretching (100) modes were measured.

263 by the weighted-histogram analysis method of heavy-atom, structure-based models of UVF, EnHD, and bot

264 To test this hypothesis, heavy atom substituted DBTOs were prepared and photolyze

265 orogen-activating protein (FAP) that binds a heavy atom-substituted fluorogenic dye, forming an 'on-d

266 Optical spectroscopy reveals that heavy atom substitution leads to a red-shift in the low-

267 The effects of tacticity, heavy atom substitution on the main chain, and chain hel

268 Heavy-atom substitution alone increases phosphorescence

269 nt-free lactide polymerization combined with heavy-atom substitution.

270 er of mass due to the different locations of heavy atom substitutions.

271 small polyatomic molecules that contain one heavy atom to ultra-intense (with intensities approachin

272 including adding a limited number of missing heavy atoms to biomolecular structures, estimating titra

273 Addition of only three heavy atoms to early tool compound 6 removed Cyp3A4 liab

274 A for backbone atoms and 0.71 +/- 0.07 A for heavy atoms to the mean structure.

275 erium isotope effect (CH3OD), this motion of heavy atoms transforms the reverse charge transfer from

276 f substituents on a possible contribution of heavy atom tunneling to the reaction mechanism is also d

277 strategies for the experimental detection of heavy-atom tunneling and the increased use of calculatio

278 on to recent experimental findings that show heavy-atom tunneling at moderate temperatures.

279 support the recently predicted importance of heavy-atom tunneling in cyclopropylcarbinyl ring-opening

280 d out for 13 reactions, to test the scope of heavy-atom tunneling in organic chemistry, and to check

281 stigations have been reported on the role of heavy-atom tunneling in the area of pericyclic reactions

282 ntal test of the theoretical prediction that heavy-atom tunneling is involved in the degenerate Cope

283 Heavy-atom tunneling limits the lifetime and observabili

284 Given that heavy-atom tunneling plays a role in planar bond shiftin

285 In this way, we discovered the heavy-atom tunneling reaction involving spontaneous ring

286 computationally explored the contribution of heavy-atom tunneling to planar pai-bond shifting in the

287 ple computational test for the likelihood of heavy-atom tunneling using standard quantum-chemical inf

288 elene fit with statistical expectations from heavy-atom tunneling when a low-energy sensitizer is emp

289 hat A rearranges to the didehydroazepine via heavy-atom tunneling.

290 eling and the first example of excited-state heavy-atom tunneling.

291 nce, the results are interpreted in terms of heavy-atom tunneling.

292 en-1,5-diyne were carried out to investigate heavy-atom tunneling.

293 for predicting transmission coefficients in heavy-atom tunnelling.

294 d efficiencies of 0.29-0.54 kcal mol(-1) per heavy atom were achieved.

295 ed with the transfer of chlorine between two heavy atoms, whereas in the presence of low H3O(+) and C

296 was 1.01 +/- 0.13 A (1.52 +/- 0.12 A for all heavy atoms), which improved to 0.49 +/- 0.05 A (1.19 +/

297 mic clusters to mimic the chemistry of these heavy atoms, which will be of great importance in design

298 y enhanced compared to that of an individual heavy atom with the same absorption cross-section.

299 one approach is to synthesize monolayers of heavy atoms with honeycomb coordination accommodated on

300 re deviations (RMSD) for all of the backbone heavy atoms with respect to the native structure of 3.35