ライフサイエンスコーパス: coupling constant

1 me disordered by quenching the ferromagnetic coupling constant.

2 shift values and as well as one (13)C-(77)Se coupling constant.

3 to [2Fe2S], the larger the antiferromagnetic coupling constant.

4 r Pt and N chemical shifts as well as Pt-N J-coupling constants.

5 hrough their rotational and (14)N quadrupole coupling constants.

6 , which was found to have unexpected vicinal coupling constants.

7 olecules is the ability to accurately obtain coupling constants.

8 s indicated by unexpectedly small spin-orbit coupling constants.

9 (charge and spin) densities and the exchange-coupling constants.

10 and solvent dependent isotopic shifts and HD coupling constants.

11 he torsion angles were measured by spin-spin coupling constants.

12 is discussed in detail, as are the (1)H NMR coupling constants.

13 measurements of 3J(CgammaCO) and 3J(CgammaN) coupling constants.

14 d, as determined by (1)H-(1)H and (13)C-(1)H coupling constants.

15 action and measurably larger electron proton coupling constants.

16 ned from experimentally measured (15)N-(31)P coupling constants.

17 system causes a large attenuation of the EPR coupling constants.

18 ng variety of chemical shifts and long-range coupling constants.

19 nd accurate computations of proton spin-spin coupling constants.

20 e observed with three different (13)C-(77)Se coupling constants.

21 achieving practical evaluation of spin-spin coupling constants.

22 asurable effects on the (13)C-(13)C one-bond coupling constants.

23 conformation on vicinal phosphorus-hydrogen coupling constants.

24 short H-F distance of 1.79(3) A and a large coupling constant ((1) JHF ) of 57.2 Hz.

25 Computed coupling constants ((1)J(X-H)) for monomers are in good

26 ation of experimental one-bond proton-carbon coupling constants ((1)JCH) in small molecules is presen

27 The decrease in reduced coupling constants ((1)K(X-H)) as the X-H distance incre

28 All reduced Fermi-contact terms and reduced coupling constants ((1)K(X-H)) for monomers and complexe

29 The olefinic interproton two-bond coupling constants (2)JH,H of the H2C horizontal lineCLi

30 Two-bond (13)C-(1)H NMR spin-spin coupling constants ((2)J(CCH)) between C2 and H1 of aldo

31 c organic compounds using carbon-proton spin-coupling constants ((2,3)J(C,H)) and proton-proton spin-

32 provide predictions of the three-bond scalar coupling constants ((3)J(H(N)H(alpha))), chemical-shift

33 nstants ((2,3)J(C,H)) and proton-proton spin-coupling constants ((3)J(H,H)); its absolute stereochemi

34 ugh PSEUROT analysis of three-bond (1)H-(1)H coupling constants ((3)J(HH)) of the ring hydrogens.

35 olidine ring in each compound was gauged via coupling constants ((3)JHalpha,Hbeta) and the electroneg

36 performed to evaluate three-bond (15)N-(31)P coupling constants ((3h)J(N[bond]P)) across N[bond]H....

37 ution by comparing the vicinal proton-proton coupling constants (3J(HH)) obtained in solution to thei

38 The value of the dipolar coupling constant, 5250 +/- 90 Hz, corresponds to an ave

39 opy (CSA, 806 ppm) and smaller (95)Mo--(13)C coupling constant (60 Hz) than the methylidyne (CSA = 44

40 e 1 copper protein at low pH (with hyperfine coupling constant A( parallel) = 54 x 10(-4) cm(-1) at p

41 le distance (r(eff)) of 2.2 A, and isotropic coupling constant (A(iso)) of -0.35 MHz.

42 utions makes it possible to measure 3JalphaN coupling constants accurately over the full temperature

43 (13)C and (1)H chemical shifts, and (1)J(CH) coupling constants against the Charton steric parameter,

44 that electron spin resonance (ESR) hyperfine coupling constants (aH values) computed at the BLYP/EPR-

45 nd < 8 gauss changes in the copper hyperfine coupling constants (AII) in the X-band electron paramagn

46 and moiety and the (13)C isotropic hyperfine coupling constants, Aiso((13)C), for the individual carb

47 alues, and the (13)C(1)-(7)Li or (13)C-(6)Li coupling constants all increase with decreasing values o

48 ed states, and short and long-range magnetic coupling constants all indicate a rather weak interactio

49 s in conjunction with rff-computed spin-spin coupling constants allow for fast and reliable screening

50 The (13)C hyperfine coupling constants also provide an independent experimen

51 in the rest of the chain are determined from coupling constants, amide-amide sequential NOEs, seconda

52 matrix that parametrizes chemical shifts and coupling constants among spins provides a much richer fe

53 experimental (3)J(H,H) values from (1)H NMR coupling constant analyses.

54 tructures of the products were determined by coupling constant analysis of both the initial compounds

55 tructures of the products were determined by coupling constant analysis of both the initial compounds

56 ation was assigned on the basis of (1)H/(1)H coupling constant analysis.

57 (13)C RDCs measured in a PMMA gel and a (3)J coupling constant analysis.

58 mputational chemistry and (1)H NMR (3)J(H,H) coupling constant analysis.

59 seem to require both a large electron-phonon coupling constant and a value of mu* (the repulsive elec

60 fy conformational preferences primarily from coupling constant and NOE data.

61 with both experimentally determined (1)H NMR coupling constants and diastereoselectivity results from

62 ted from the values of the H5-H6R and H5-H6S coupling constants and found to be similar to those foun

63 The hyperfine coupling constants and geometry of the NH(2) moiety are

64 For each fragment, calculated J-coupling constants and helical propensities are in good

65 erpreted together with the (3)J(NzetaCgamma)-coupling constants and NMR-relaxation-derived S(2) order

66 y characterized by detailed 1D and 2D NMR (J-coupling constants and nOe analysis), mass, and UV spect

67 brational spectroscopy data with 3JCalphaHNH coupling constants and obtained again blends dominated b

68 ands or cofactors (assigned chemical shifts, coupling constants and peak lists) and derived data (rel

69 ecular spin-orbitals (MSOs) to the hyperfine coupling constants and the spatial distribution of the z

70 been demonstrated for the first time between coupling constants and X-H distances for different X ato

71 (13)C NMR chemical shifts, (3)J(HNH)(alpha) coupling constants, and CD ellipticities [theta(Molar)](

72 with the observed g values, ligand hyperfine coupling constants, and FTIR stretching frequencies.

73 redicting NMR chemical shifts, EPR hyperfine coupling constants, and low-energy transitions of the ab

74 MR methods including methyl chemical shifts, coupling constants, and methyl order parameters.

75 one- and two-bond heteronuclear (13)C-(77)Se coupling constants, and the changes in both the chemical

76 ) protons, the magnitude of the 3J(NH,alpha) coupling constants, and the pattern of backbone-backbone

77 ature magnetic susceptibility, EPR hyperfine coupling constants, and the results of X-ray crystal str

78 tronic heat capacity and the electron-phonon coupling constant are larger for the thiolated NPs than

79 g(y) = 1.9957, g(z) = 1.9775, and hyperfine coupling constants are A(III)(x) = |171| G, A(III)(y) =

80 ree temperatures, and the (1)H-(13)C dipolar coupling constants are compared with those obtained for

81 The hyperfine coupling constants are consistent with a structural mode

82 In addition, quadrupole coupling constants are decreased by up to 1 MHz.

83 xperimental data, and computed spin-exchange coupling constants are in accord with spectroscopic valu

84 The computed coupling constants are in reasonable agreement with the

85 a) and N(gamma) ; and (iv) The Pt-N(alpha) J-coupling constants are small in magnitude when consideri

86 These intra- and inter-vertex coupling constants are used to track the degree of stere

87 show an increase in the Cu-N superhyperfine coupling constant as the length of the oligonucleotide i

88 iations typically observed in vicinal J(H-H) coupling constants as a function of dihedral angles.

89 The magnitude of the one-bond coupling constant between C(1) and H(1) in 2,3-anhydro-O

90 The small homonuclear coupling constant between H2 and H8 protons of adenine (

91 d based on the determination of the (3)J(CH) coupling constant between the fluorine-decoupled (13)CF3

92 blished by (1)H NMR, which indicated a large coupling constant between vicinal carbinol protons.

93 he quantum-mechanical level yielded one-bond coupling constants between 230 and 260 kHz.

94 nd from an acetylene C-H, as revealed by NMR coupling constants between alkyne 13C and 1H nuclei as w

95 d experiments confirmed that the vibrational coupling constants between i, i + 1 and i, i + 2 residue

96 The NMR spectra, and in particular the coupling constants between the alpha-hydrogen atom of th

97 re determined from the vicinal proton-proton coupling constants between the hydrogen nuclei of the CH

98 Calculation of phosphorus-hydrogen coupling constants both as a function of PYCH dihedral a

99 ints on the relative amplitudes of hyperfine coupling constants, both for protons at chemically disti

100 6-31G//MP2/6-31G methods and for many of the coupling constants by the EOM-CCSD/6-311G//MP2/6-311G me

101 The observed quadrupolar coupling constant C(Q) of 10.5 +/- 1.5 MHz and chemical

102 lied to characterize the nuclear quadrupolar coupling constants (C(Q)) and asymmetry parameters (eta(

103 he extracted values of the (55)Mn quadrupole coupling constant, C(Q), and its asymmetry parameter, et

104 The analysis of the corresponding coupling constants calculated using DFT/B3LYP/pcJ-1 appr

105 e temperature dependence of the HD spin-spin coupling constant can be determined with standard quantu

106 Three-bond coupling constants can be appreciable when the phosphoru

107 based nuclear Overhauser effect and scalar J-coupling constants can provide useful spatial informatio

108 to electron paramagnetic resonance hyperfine coupling constants, can now be calculated for nitrosyl h

109 The C[bond]N coupling constants centered at the C(epsilon 1) and C(de

110 n with calculated and experimental (1)H-(1)H coupling constants comparison.

111 Coupling constants computed at the density functional th

112 Moreover, the 19F hyperfine coupling constants computed with the MP2 method and a hi

113 es), reorganization energies, and electronic coupling constants, concluding that the forward and futi

114 oadipic acid unit shows patterns of NOEs and coupling constants consistent with a well-defined turn c

115 e compounds also exhibit chemical shifts and coupling constants consistent with the formation of fold

116 lculations of (13)C chemical shifts and spin coupling constants constitute a robust and now practical

117 Time-varying coupling constants could be quantitatively determined by

118 electric field gradient (EFG) or quadrupole coupling constant (Cq) for CAII are independent of pH wi

119 esponds to the lineshape having a quadrupole coupling constant (Cq) of 9.6 MHz and the anhydrous site

120 The value of the quadrupole coupling constant, Cq, for the zinc increased monotonica

121 The quadrupole coupling constants, Cq's, ranged from 3.25 to 16.7 MHz t

122 assigned taking into consideration the usual coupling constants criteria, but a diagnostic based on t

123 igma of PII nucleation is evaluated from the coupling constant data.

124 ed and well simulated using distinct dipolar coupling constants DCalphaH and DCalphaD for the enantio

125 For the donor C-C bond, coupling constants decrease, consistent with weakening o

126 In addition, scalar coupling constants derived from simulations in the TIP4P

127 The (1h)J(2'OH,N) cross hydrogen bond scalar coupling constant determined from a quantitative 1D (15N

128 urate model of the in vivo vanadyl-phosphate coupling constants determined in an earlier study Compar

129 distribution, geometrical parameters, and J-coupling constant differences between canonical and Lewi

130 for the helix dimers from an analysis of the coupling constant distribution.

131 ior of the (1)J(CF) rotational profile, this coupling constant does not appear to be of significant d

132 e could, in principle, depend on the reduced coupling constant epsilon0 of the initial state and the

133 Quadrupole coupling constants estimated from (14)N HYSCORE spectra

134 niques optimized for large (27)Al quadrupole coupling constants: field-swept, frequency-stepped, and

135 The (1)J(NC') coupling constant for the (-1) scissile peptide bond at

136 established by the fact that the 28 computed coupling constants for (known) 1 and (newly determined)

137 A new set of (1)H NMR coupling constants for 2,3-enopyranosyl systems was used

138 X-ray structures, together with (1)H NMR coupling constants for [2](2+), indicate geometries in w

139 (1)H-(13)C/(1)H-(15)N heteronuclear dipolar coupling constants for CAP-Gly and CTD CA, reporting on

140 compared to the corresponding theoretical J coupling constants for cases where (1) there is an absen

141 al shifts and (1)H-(1)H and (13)C-(13)C spin-coupling constants for cis and trans amides that are det

142 ferent X atoms by plotting the ratios of the coupling constants for complexes and corresponding monom

143 Electronic coupling constants for Dexter transfer were determined t

144 ccur in the amide one-bond (15)N-(1)H scalar coupling constants for glutamine binding protein (GlnBP)

145 is provided by almost identical interresidue coupling constants for larger sequences extracted from t

146 at ff99SB demonstrates poor agreement with J-coupling constants for short polyalanines.

147 rfine couplings; the differences between the coupling constants for the buried and solvent-exposed ra

148 Calculated magnetic coupling constants for the carboxylate-bridged structure

149 Isotropic hyperfine coupling constants for the ligand nitrogen atoms were al

150 DFT calculations of isotropic shieldings and coupling constants for the set of low-energy conformatio

151 l t-CHP ring and the observed NMR shifts and coupling constants for the system.

152 rter computational times: accurate spin-spin coupling constants for the two conformers of strychnine

153 Dihedral scalar coupling constants for the wild-type IL-1beta and the fo

154 y are both accounted for, the J((11)B,(11)B) coupling constants for various [B2(CN)6](2-) salts were

155 The quadrupole coupling constants for weakly coupled nitrogens determin

156 nd (1)H(OH)-chemical shifts and vicinal spin-coupling constants) for contiguous polyols are reported.

157 t determination of accurate residual dipolar coupling constants from a single NMR spectrum.

158 The coupling constants further allowed assignment of an unus

159 e ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expens

160 e reported and their isotropic 19F hyperfine coupling constants (hfcc) of 198.6 +/- 0.4 G, 147.6 +/-

161 The hyperfine coupling constants (HFCs) determined from the well-resol

162 reasing temperature of the one-bond 13C, 6Li coupling constant in 6, 7, and 13 provided the dynamics

163 Spin-spin coupling constants in (1)H NMR carry a wealth of structu

164 nd electron paramagnetic resonance hyperfine coupling constants in a model Fe(II)(NO)(imidazole) comp

165 (1)H, (15)N-(1)H, (17)O-(1)H, and (19)F-(1)H coupling constants in a systematic study of monomers and

166 e magnitudes of the one-bond (13)C,(6)Li NMR coupling constants in combination with lithiation NMR sh

167 rom a combination of homo- and heteronuclear coupling constants in conjunction with molecular modelin

168 We next addressed one-bond NMR coupling constants in ethers and the reverse anomeric ef

169 tudied systems, the numerical approach gives coupling constants in excellent agreement with the avail

170 and accurate measurement of proton-fluorine coupling constants in fluorinated organic compounds.

171 H-(1)H, (13)C-(1)H, and (13)C-(13)C NMR spin-coupling constants in four model compounds that mimic al

172 g pseudopotentials to calculate the exchange coupling constants in four polynuclear first-row transit

173 nation of most homonuclear and heteronuclear coupling constants in phormidolide, along with an abunda

174 lectronic interactions in (1)J(C-H) one-bond coupling constants in six-membered rings, (3) eclipsed c

175 e compare the NMR indirect nuclear spin-spin coupling constants in strychnine calculated using densit

176 nsideration of homonuclear and heteronuclear coupling constants in tandem with ROESY data.

177 ling enables the visualization of unresolved coupling constants in the acquisition dimension of one-d

178 Isotopic enrichment and (13)C-(13)C coupling constants in the aromatic ring of the isolated

179 shifts in the IR spectra and (13)C hyperfine coupling constants in the EPR spectra exhibit good agree

180 cements in BaTiO(3) produces on the exchange coupling constants in the interfacial-oxidized Fe layer.

181 Analysis of the 5J(HH) and 3J(13C-H) coupling constants in the NMR spectra showed an anti add

182 magnetic susceptibility data yield exchange coupling constants in the range J = 17.0-17.6 cm(-1).

183 For example, the J(HSi) coupling constants in these species range in value from

184 C') and (1)J(NC') couplings by measuring the coupling constants in ubiquitin (alphabeta-fold) intesti

185 of this bond, while the intervening C-C bond coupling constants increase, consistent with bond streng

186 c effects upon (13)C NMR chemical shifts and coupling constants indicate that increasing the bulk of

187 y revealed a 9-line spectrum, with hyperfine coupling constants indicative of four almost magneticall

188 (NOEs), hydrogen-bonding networks, 3J(HNHA) coupling constants, intermolecular NOEs, and residual di

189 J(CH) and J(CC) spin-spin coupling constants involving the labeled anomeric carbon

190 luoroethane and fluoro(methoxy)methane, this coupling constant is at least not exclusively dependent

191 The hyperfine coupling constant is determined for each composition.

192 The larger coupling constant is indicative of weaker H-bonding that

193 n of a temperature-dependent electron-phonon coupling constant is necessary to adequately fit the dyn

194 these values and suggested that the smaller coupling constant is negative.

195 when a sufficient number of residual dipolar coupling constants is measured, the outcome is a robust,

196 Electric charge (the gauge coupling constant) is energy dependent, and there is a p

197 a training set of 475 experimental spin-spin coupling constants, is developed for hydrogen and common

198 he determination, especially of small scalar coupling constants, is often prevented by merging the sp

199 " hydrogen bond is investigated through NMR (coupling constants, isotopic chemical shift perturbation

200 The exchange-coupling constant J (Hex = JS1.S2) was found to increase

201 temperature dependent) of the H-D spin-spin coupling constant J(HD) for six transition metal hydride

202 distances (2.00(4) - 2.09(4) A) and average coupling constant (J(SiH) = 25 Hz) suggest some degree o

203 pling and thereby a higher magnetic exchange coupling constant (J).

204 calculations that stress the role of scalar coupling constants (J(HN) and J(HH)) and of the field de

205 d to the appearance of long-range (1)H-(15)N coupling constants (J(HN)), which can be measured easily

206 -bond 199Hg-199Hg nuclear magnetic spin-spin coupling constants (J-couplings) of [Hg-Hg-Hg]2+ were ca

207 The exchange coupling constants (|J/k|) are of the order of 1 K.

208 te that inhibitor binding decreases the spin-coupling constant, J, compared to the native enzyme.

209 13C-13C Spin-spin coupling constants (JCC) have been measured in a group o

210 ne and pentane between 296 and 213 K exhibit coupling constants JHD of 3.8-9.0 Hz, suggesting the pre

211 Electron-phonon coupling constant lambda and electronic density of state

212 c about infinity and contain a dimensionless coupling constant M/s, where M denotes the total mass-en

213 ng an S = 7/2 ground state with an estimated coupling constant magnitude of |J| >/= 900 cm(-1).

214 point calculations predict small spin-orbit coupling constants making the spin state change from low

215 3J(NP) coupling constant measurements using quantitative J-corr

216 stems were combined with standard NOE and J coupling constant NMR data from the catalytic core.

217 ons of the meroterpenoids were determined by coupling constant, NOE, and Mosher's analysis.

218 spectrum, which yielded a (65)Cu quadrupole coupling constant of +/-71.2 +/- 1 MHz, corresponding to

219 effect on warfarin/HSA binding, providing a coupling constant of 0.79 (+/-0.03).

220 c(4)O(2)@C(80) exhibited an especially large coupling constant of 150.4 G in the cation radical, whic

221 ic effect on tamoxifen/HSA binding, giving a coupling constant of 2.3 (+/-0.3).

222 pposite the indene moiety, gave a long-range coupling constant of 4J(Me,H) = 1.3-1.4 Hz.

223 pled nonexchangeable proton with a hyperfine coupling constant of 50 MHz.

224 signal with a g value of 2.003 and hyperfine coupling constant of 8 x 10(-4) cm(-1) to the I = 7/2 (5

225 nated apatite are similar but the quadrupole coupling constant of cortical bone is larger than that m

226 The one-bond 13C-1H spin-spin coupling constant of hexafluoroisopropanol (HFIP) correl

227 tween the two S = 1/2 Cu(II) centers, with a coupling constant of J = +2.69(5) cm(-1), to give an S =

228 arises from the S = 2 manifold, an exchange coupling constant of J = -2.7 +/- 0.2 cm(-)(1) (H(ex) =

229 ta = -125 K, and a nearest-neighbor exchange coupling constant of J(NN) = -12.5 K are observed.

230 exhibits a record antiferromagnetic exchange coupling constant of J(V-Mo) = -114 cm(-1).

231 The hyperfine coupling constant of the g = 2 signal in the EPR spectra

232 constant E(T)(N) and the nitrogen hyperfine coupling constant of the released nitroxide a(N,SG1), me

233 pictures of the dependence of the hyperfine coupling constant of the trapped H atom upon the detrapp

234 are created by a giant Rashba effect with a coupling constant of ~4 eV.A due to interfacial charge t

235 luster is highly anisotropic, with hyperfine coupling constants of 9.1 and 2 x 33.3 G for the [5,6] a

236 Experimental quadrupolar coupling constants of alpha deuterons (D(alpha) QCC) are

237 se Perlin effect was observed on the (1)JC-F coupling constants of alpha- and beta-d-glucopyranosyl f

238 rum, and contour line shape analysis yielded coupling constants of approximately 15, 9, and 1 MHz.

239 modes to be 11.5 and 15.3 meV, and Frohlich coupling constants of approximately 40 and 60 meV for th

240 identical PNCH dihedral angles but measured coupling constants of approximately 6 and 1.5 Hz.

241 A diagnostic trend for coupling constants of gamma-benzyloxy beta-lactones was

242 The (3)J(HN alpha) coupling constants of individual alanine residues have b

243 iferromagnetic metal...radical coupling with coupling constants of J = -67.5 and -66.8 cm(-1) for 1 a

244 of apparent DeltaG values from the measured coupling constants of the backbone amides, we can constr

245 l and constraints imposed by the 3JCalphaHNH coupling constants of the central residues to simulate t

246 The J((11)B,(11)B) coupling constants of various salts of the electron-prec

247 Since the ratio removes the dependence of coupling constants on the magnetogyric ratios of X, this

248 substrate, corresponding to magnetoelectric coupling constants on the order of alpha = (2-5) . 10(-7

249 On the basis of the quadrupole coupling constant, one nitrogen can only be assigned to

250 different types of long-range (15)N-(13)C J-coupling constants: one between intraresidue (15)Nzeta a

251 etic susceptibility data requires use of two coupling constants: one intramolecular with J = 14.9 cm(

252 de S-N bond, and vicinal phosphorus-hydrogen coupling constants over 40 Hz.

253 The coupling constant perturbations correlate with significa

254 description of adiabatic dynamics, where the coupling constant plays the role of time and the counter

255 the original structures, the calculated spin coupling constants possess much higher structural inform

256 ne (1)H NMR chemical shifts, and large J(CH) coupling constants provide evidence for donation of elec

257 nalysis of the boron and nitrogen quadrupole coupling constants provided the valence p-electron occup

258 For each coupling constant, PSEUROT requires two parameters, A an

259 on zeolite HZSM-5, calculated the quadrupole coupling constants (Q(cc)) and asymmetry parameters (eta

260 on on allostery is to monitor the allosteric coupling constant (Qax), a ratio of the substrate bindin

261 quadrupolar coupling parameters (quadrupolar coupling constant, QCC, and asymmetry parameter, eta) fo

262 ts yield an average value of the quadrupolar coupling constant, QCC, for D(alpha) sites in proteins e

263 n techniques with regard to chemical shifts, coupling constants, relaxation rates and nuclear Overhau

264 The sign of the coupling constant remained consistent for larger label s

265 143 ((1)J) experimental (13)C-(1)H spin-spin coupling constants reported in the literature.

266 the (14)N hyperfine coupling and quadrupole coupling constants reported previously using HYSCORE spe

267 ermined through the use of vicinal 119Sn-13C coupling constants, revealing a conformational distortio

268 frequency and the imidazole (14)N hyperfine coupling constants show a good correlation with the Fe-(

269 The coupling constants show that for each of the indicated r

270 Calculations of scalar (J) coupling constants showed the best agreement with experi

271 s, the 15N chemical shift and 15N-1H dipolar coupling constants, showed semi-quantitative agreement w

272 sed hyperfine structure with large hyperfine coupling constants shows that both oxidation and reducti

273 curate prediction of proton-proton spin-spin coupling constants (SSCC) in (1)H NMR.

274 curate prediction of proton-proton spin-spin coupling constants (SSCC) in (1)H NMR.

275 a lone pair effect on (3)J(PH), the negative coupling constant, temperature-dependent chemical shifts

276 cal structure that predicts residual dipolar coupling constants that are incompatible with those meas

277 s was investigated using (3)JH,H and (3)JC,H coupling constants that were determined from 1D (1)H NMR

278 ndependent of [Formula: see text], the gauge-coupling constant, the Fermi velocity, the Fermi surface

279 A large quadrupolar coupling constant, the measure of the local distortion o

280 On the basis of NMR coupling constants, the originally formed ring-opened in

281 resolved are available to obtain complicated coupling constants; the multiple homonuclear decoupling

282 These are commonly observed, but the coupling constants thus obtained are invalid for data-st

283 (2)J(CH), (3)J(CH), and (4)J(CH) coupling constants to (19)F decoupled CF3 groups in alke

284 thod is a very practical tool for extracting coupling constant values.

285 elated HSQC NMR spectroscopy, and the 15N-1H coupling constant was found to be 1.8 Hz greater for the

286 lly, the complete set of vicinal and allylic coupling constants was calculated for each of the four d

287 ntal evidence of the opposite signs of these coupling constants was obtained by analysis of the ABX N

288 ng a free-ion value for the Pu(4+) hyperfine coupling constant, we estimated a bare (239)gamma(n)/2pi

289 NMR (3)J coupling constants were also computed from the Brownian

290 In addition, scalar coupling constants were computed at TPSS-D3/IGLO-III.

291 es in both the chemical shift values and the coupling constants were found to obey linear free energy

292 The coupling constants were found to strongly correlate to t

293 ng DFT calculations, the predicted hyperfine coupling constants were used to simulate the EPR spectra

294 Magnitudes of the quadrupole coupling constants, which are proportional to the electr

295 h different substrates, as did mitochondrial coupling constants, which were significantly larger for

296 imulations reveal antiferromagnetic exchange-coupling constants with an average of 2.1 K within the {

297 son of the derived isotropic and anisotropic coupling constants with results from earlier ESEEM and e

298 is demonstrated by analysis of the (3)J H-H coupling constants within the reduced ring.

299 ise ratio, and over a wide range of one-bond coupling constants, without the need for broadband (13)C

300 examined in terms of the role of spin-orbit coupling constants (zeta), paramagnetism, and steric eff