ライフサイエンスコーパス: quantum mechanics

1 o the underlying mathematical formulation of quantum mechanics.

2 n only be formulated within the framework of quantum mechanics.

3 tanglement is the most surprising feature of quantum mechanics.

4 canning transmission electron microscopy and quantum mechanics.

5 of Born's rule are well-accepted tenants of quantum mechanics.

6 tomechanical system for studying macroscopic quantum mechanics.

7 e connection between statistical physics and quantum mechanics.

8 cal technologies that exploit the effects of quantum mechanics.

9 ts on real materials since the early days of quantum mechanics.

10 any unusual and counterintuitive features of quantum mechanics.

11 nt is one of the most intriguing features of quantum mechanics.

12 mance is limited by the adiabatic theorem of quantum mechanics.

13 n debated as the answer lies at the heart of quantum mechanics.

14 phase, a curious entity first discovered in quantum mechanics.

15 umber of important and fundamental issues in quantum mechanics.

16 of quantum gravity through well-established quantum mechanics.

17 Information is central to quantum mechanics.

18 important case of Schrodinger's equation in quantum mechanics.

19 degree of freedom for fundamental studies in quantum mechanics.

20 n atomic scales, nature behaves in line with quantum mechanics.

21 ectronic properties governed by relativistic quantum mechanics.

22 a phenomenon which lies at the very heart of quantum mechanics.

23 rified by information-theoretical limits and quantum mechanics.

24 his wave-particle duality is at the heart of quantum mechanics.

25 radiation helped to build the foundations of quantum mechanics.

26 he fundamental, exactly solvable problems in quantum mechanics.

27 netism, acoustical waves and matter waves in quantum mechanics.

28 n physics and coincide with the emergence of quantum mechanics.

29 been central to foundational discussions of quantum mechanics.

30 er measurement limits imposed by the laws of quantum mechanics.

31 position principle is a fundamental tenet of quantum mechanics.

32 relativity and nonlocal effects predicted by quantum mechanics.

33 xPoN force field for water based entirely on quantum mechanics.

34 facet of this material with first-principles quantum mechanics.

35 tential for resolving foundational issues in quantum mechanics.

36 c physics usually found in ultrarelativistic quantum mechanics.

37 security guaranteed by the physical laws of quantum mechanics.

38 and are thus not restricted to the realm of quantum mechanics.

39 msauer-Townsend effect occurring in ordinary quantum mechanics.

40 was proposed as key steps and verified using quantum mechanics.

41 absolute security guaranteed by the laws of quantum mechanics.

42 e-slit experiment "...has in it the heart of quantum mechanics.

43 provided by fields as varied as zoology and quantum mechanics.

44 ogical detection(1) and fundamental tests of quantum mechanics(2).

45 full interferometric sensitivity allowed by quantum mechanics(8,9).

46 According to quantum mechanics, a harmonic oscillator can never be co

47 t are often perceived as the yin and yang of quantum mechanics: a particle simultaneously propagating

48 be explained as the back-action required by quantum mechanics adding quantum noise to a classical si

49 However, relativistic quantum mechanics allows for generating current-induced

50 with matter at the atomic scale, the laws of quantum mechanics also govern the properties of macrosco

51 are now widely used for fundamental tests of quantum mechanics and applications such as quantum crypt

52 work compatible with the basic principles of quantum mechanics and classical general relativity.

53 Using quantum mechanics and crystal coordinates, this work stu

54 n = 1, 2, 3, 4) using both stationary state quantum mechanics and first principle molecular dynamics

55 lar to the Born-Oppenheimer approximation in quantum mechanics and follows from the stochastic path i

56 o improving our fundamental understanding of quantum mechanics and have applications for quantum info

57 e has a fundamentally different character in quantum mechanics and in general relativity.

58 ral concept in fundamental investigations of quantum mechanics and in quantum communication applicati

59 icles constitutes a fundamental signature of quantum mechanics and is a key resource for quantum info

60 certainty relation is a fundamental limit in quantum mechanics and is of great importance to quantum

61 of the most funda- mental manifestations of quantum mechanics and it is at the core of many famous q

62 phase between quantum states, is central to quantum mechanics and its applications.

63 ding connections to smaller length scales of quantum mechanics and larger length scales of coarse-gra

64 Quantum mechanics and molecular mechanics (QM/MM) calcul

65 mulation to prepare the complex for combined quantum mechanics and molecular mechanics (QM/MM) calcul

66 etical strategies, the application of hybrid quantum mechanics and molecular mechanics (QM/MM) models

67 Combined quantum mechanics and molecular mechanics calculations f

68 The results are supported by mixed quantum mechanics and molecular mechanics calculations.

69 tion of X-ray structural models by combining quantum mechanics and molecular mechanics simulations wi

70 notions of separability and correlations in quantum mechanics and on the nature of interactions.

71 Linear optics underpins fundamental tests of quantum mechanics and quantum technologies.

72 n, quantum metrology and laboratory tests of quantum mechanics and relativity.

73 the symmetry group relating non-relativistic quantum mechanics and special relativity via their "myst

74 Quantum field theory reconciles quantum mechanics and special relativity, and plays a ce

75 en bond have been thoroughly studied through quantum mechanics and statistical analyses.

76 analysis of the buildup allows us to compare quantum mechanics and the corpuscular model, which aims

77 f a theory of monopoles consistent with both quantum mechanics and the gauge invariance of the electr

78 Quantum mechanics and the general theory of relativity a

79 maining open question is whether the laws of quantum mechanics and thermodynamics allow the existence

80 To appreciate the deep connection between quantum mechanics and thermodynamics we need only recall

81 um postulates, often referred to as "unitary quantum mechanics", and the assumption that ensembles on

82 central to understanding the foundations of quantum mechanics, and are a powerful diagnostic tool fo

83 analysis with extensive molecular dynamics, quantum mechanics, and hybrid QM/MM simulations to provi

84 is one of the most fundamental properties of quantum mechanics, and is the key resource for quantum i

85 ses, it does not rely on the universality of quantum mechanics, and it is independent of the interpre

86 tangled electrons is an important concept in quantum mechanics, and necessary for advances in quantum

87 ntum information science, the foundations of quantum mechanics, and scattering and imaging of magneti

88 However, a demonstration that quantum mechanics applies equally to macroscopic mechani

89 cations in presence of water molecules, by a quantum mechanics approach.

90 Two central concepts of quantum mechanics are Heisenberg's uncertainty principle

91 served and observer are both assumed to obey quantum mechanics, as in the many-worlds interpretation

92 has opened up new frontiers in the study of quantum mechanics at a macroscopic level.

93 COSMO-RS, a quantum mechanics-based fully predictive model, generall

94 pic data and the assignment was confirmed by quantum mechanics-based NMR chemical shift calculations.

95 Quantum mechanics-based results confirm that the sub-Ang

96 52 residues of this species occur naturally, quantum-mechanics-based force-field parametrization was

97 measurement process plays an awkward role in quantum mechanics, because measurement forces a system t

98 played a critical role in the development of quantum mechanics, but even today the unique properties

99 ution of bonding, rooted in the formalism of quantum mechanics, but otherwise conceptually and method

100 re verified with computational chemistry and quantum mechanics by molecular dynamics simulation progr

101 inciples density function theory (DFT) based quantum mechanics calculation results of atomic clusteri

102 We have used quantum mechanics calculations and hybrid quantum mechan

103 Quantum mechanics calculations and nuclear Overhauser ef

104 We demonstrate this with quantum mechanics calculations for a wide range of subst

105 res and provide a comparison with high-level quantum mechanics calculations of short peptoid oligomer

106 On a parallel front, quantum mechanics calculations such as density functiona

107 Semiempirical quantum mechanics calculations suggest that the mechanis

108 Quantum mechanics calculations suggested that the extra

109 we used NMR (1)H chemical shift coupled with quantum mechanics calculations to examine the interactio

110 ugh a combination of molecular mechanics and quantum mechanics calculations, we evaluate the polariza

111 insight into how the probabilistic nature of quantum mechanics can be related to secure communication

112 Quantum mechanics can help to solve complex problems in

113 entangled emitters, which is at the heart of quantum mechanics, can be made visible in the photon sta

114 are inextricably and quantitatively linked: Quantum mechanics cannot be more nonlocal with measureme

115 In hybrid quantum mechanics/classical mechanics simulations, we fi

116 Lying at the heart of quantum mechanics, coherence has recently been studied a

117 In standard quantum mechanics, complex numbers are used to describe

118 c studies, a monosilylated model system, and Quantum Mechanics computations provide insight into the

119 Quantum mechanics defines two classes of particles-boson

120 First-principles quantum mechanics (density functional theory including s

121 We use first principles quantum mechanics (density functional theory) to report

122 as input a SMILES of a compound and uses six quantum mechanics descriptors to identify its reactive s

123 Using quantum mechanics/discrete molecular dynamics, we showed

124 Quantum-mechanics-driven (1)H iterative full spin analys

125 issipative systems in terms of non-Hermitian quantum mechanics enabling the identification of a class

126 necessary for fundamental investigations of quantum mechanics, for increasing the sensitivity of qua

127 Quantum mechanics governs the microscopic world, where l

128 Though quantum mechanics has proved adept at describing the mic

129 cent studies in quantum biology suggest that quantum mechanics help us to explore quantum processes i

130 Quantum mechanics imposes a limit on the precision of a

131 at force-field-like efficiency and captures quantum mechanics in an analytically differentiable repr

132 es and the exploration of the foundations of quantum mechanics in unreached parameter spaces.

133 fundamental theories proposed that go beyond quantum mechanics, in which the breakdown of quantum the

134 unique system for experiments in fundamental quantum mechanics, including the generation of large qua

135 UV/Vis/NIR spectroscopic studies and DFT quantum mechanics indicate that the folding of the short

136 the foundations of physics, establishes that quantum mechanics is a non-local theory.

137 most clearly the fact that the linearity of quantum mechanics is intimately connected to the strong

138 A central feature of quantum mechanics is that a measurement result is intrin

139 cal phenomenon found within the framework of quantum mechanics is the 'quantum Cheshire Cat': if a qu

140 One of the most striking features of quantum mechanics is the profound effect exerted by meas

141 tal manifestation of this basic principle of quantum mechanics, its link to the quantum nature of lig

142 show that any single-world interpretation of quantum mechanics leads to inconsistent predictions if i

143 The duality principle, a cornerstone of quantum mechanics, limits the coexistence of wave and pa

144 dox and implies that the fundamental laws of quantum mechanics may be violated.

145 In quantum mechanics, measurements cause wavefunction colla

146 We propose and validate with quantum mechanics methods a unique catalyst for electroc

147 and residence time was demonstrated through quantum mechanics methods and further supported by exper

148 Indeed, quantum mechanics modeling indicates the feasibility of

149 tal results and simulations of the ab initio quantum mechanics molecular dynamics prove that the stru

150 eolus using stopped-flow, rapid-quench flow, quantum/mechanics molecular mechanics calculations, crys

151 ed Pt strain by the fct-FePt as suggested by quantum mechanics-molecular mechanics (QM-MM) simulation

152 ansfer in wild type (WT) ecDHFR using hybrid quantum mechanics-molecular mechanics free energy simula

153 eaction in an SNT called GlmU through hybrid quantum mechanics-molecular mechanics molecular dynamics

154 actor simulation protocol consists of hybrid quantum mechanics-molecular mechanics-based high tempera

155 By means of a mixed quantum mechanics/molecular dynamics (QM/MD) theoretical

156 Furthermore, a quantum mechanics/molecular mechanics (QM/MM) analysis s

157 We performed a detailed quantum mechanics/molecular mechanics (QM/MM) and molecu

158 By using a quantum mechanics/molecular mechanics (QM/MM) approach,

159 amoylated FAAH is investigated by means of a quantum mechanics/molecular mechanics (QM/MM) approach.

160 xtended graphics processing unit (GPU)-based quantum mechanics/molecular mechanics (QM/MM) approaches

161 Our density functional theory (DFT)-based quantum mechanics/molecular mechanics (QM/MM) calculatio

162 The mechanism and pH effect are supported by quantum mechanics/molecular mechanics (QM/MM) calculatio

163 cular dynamics (MD) simulations and combined quantum mechanics/molecular mechanics (QM/MM) calculatio

164 ependence requires expensive and specialized quantum mechanics/molecular mechanics (QM/MM) calculatio

165 s, thermodynamic integration, and high-level quantum mechanics/molecular mechanics (QM/MM) calculatio

166 by using density functional theory (DFT) and quantum mechanics/molecular mechanics (QM/MM) calculatio

167 Density functional-based quantum mechanics/molecular mechanics (QM/MM) calculatio

168 Quantum mechanics/molecular mechanics (QM/MM) calculatio

169 dded in a solvated DNA dodecamer by means of quantum mechanics/molecular mechanics (QM/MM) Car-Parrin

170 with the use of molecular mechanics (MM) and quantum mechanics/molecular mechanics (QM/MM) computatio

171 d oxidation are characterized at the uniform quantum mechanics/molecular mechanics (QM/MM) computatio

172 ular dynamics (CPMD) simulations, in a mixed quantum mechanics/molecular mechanics (QM/MM) framework,

173 Combined quantum mechanics/molecular mechanics (QM/MM) geometry o

174 Quantum mechanics/molecular mechanics (QM/MM) maturation

175 sual pigments was carried out using a hybrid quantum mechanics/molecular mechanics (QM/MM) method.

176 Combined quantum mechanics/molecular mechanics (QM/MM) methods ar

177 mulations to reaction modelling using hybrid quantum mechanics/molecular mechanics (QM/MM) methods.

178 e have combined NMR pK(a) determination with quantum mechanics/molecular mechanics (QM/MM) modeling t

179 MED) analyses, of quantum mechanics (QM) and quantum mechanics/molecular mechanics (QM/MM) models of

180 effective in the development of the combined quantum mechanics/molecular mechanics (QM/MM) models.

181 ed quantum mechanics calculations and hybrid quantum mechanics/molecular mechanics (QM/MM) simulation

182 n paramagnetic resonance (EPR) spectroscopy, quantum mechanics/molecular mechanics (QM/MM) simulation

183 UTPase-catalyzed reaction carried out in and quantum mechanics/molecular mechanics (QM/MM) simulation

184 ed using a tailored approach based on hybrid quantum mechanics/molecular mechanics (QM/MM) simulation

185 tural systems, as demonstrated by the hybrid quantum mechanics/molecular mechanics (QM/MM) simulation

186 Using linear-scaling quantum mechanics/molecular mechanics (QM/MM) techniques

187 family, at 2.15 angstrom resolution and used quantum mechanics/molecular mechanics (QM/MM) to investi

188 e-energy-reactivity correlation behavior and quantum mechanics/molecular mechanics (QM/MM) trajectori

189 We have used combined quantum mechanics/molecular mechanics (QM/MM) umbrella s

190 as been studied for the first time by hybrid quantum mechanics/molecular mechanics (QM/MM).

191 This is in line with excited-state quantum mechanics/molecular mechanics and classical mole

192 on of this cis peptide bond using a combined quantum mechanics/molecular mechanics approach together

193 rom the complex structure and using a hybrid quantum mechanics/molecular mechanics approach, we inves

194 Quantum mechanics/molecular mechanics calculations are e

195 use classical molecular dynamics and hybrid quantum mechanics/molecular mechanics calculations at th

196 mparative molecular dynamics simulations and quantum mechanics/molecular mechanics calculations indic

197 lights the basic requirements from ab initio quantum mechanics/molecular mechanics calculations of ac

198 We performed quantum mechanics/molecular mechanics calculations on th

199 dy uses density functional theory and hybrid quantum mechanics/molecular mechanics calculations to in

200 We perform quantum mechanics/molecular mechanics calculations, cons

201 In the present work, using quantum mechanics/molecular mechanics calculations, we i

202 means of molecular dynamics simulations and quantum mechanics/molecular mechanics calculations.

203 ent molecular dynamics simulations and ONIOM quantum mechanics/molecular mechanics calculations.

204 he relaxed structure was used for a combined quantum mechanics/molecular mechanics exploration of the

205 Quantum mechanics/molecular mechanics hybrid molecular m

206 eptor substrate and demonstrate, by means of quantum mechanics/molecular mechanics metadynamics simul

207 strate at the transition state, we performed quantum mechanics/molecular mechanics metadynamics simul

208 By comparing the results from a hybrid quantum mechanics/molecular mechanics method (SORCI+Q//B

209 ation, density functional theory, and hybrid quantum mechanics/molecular mechanics methods.

210 We introduce a quantum mechanics/molecular mechanics model of the oxyge

211 adband transient absorption measurements and quantum mechanics/molecular mechanics molecular dynamics

212 mbine computational methods (ligand docking, quantum mechanics/molecular mechanics optimization, and

213 tical spectroscopies and non-adiabatic mixed quantum mechanics/molecular mechanics simulations in the

214 in aqueous solution is analyzed by means of quantum mechanics/molecular mechanics simulations includ

215 his critical topic, we carried out extensive quantum mechanics/molecular mechanics simulations to cal

216 We use quantum mechanics/molecular mechanics simulations to stu

217 A combination of experimental results, quantum mechanics/molecular mechanics simulations, and t

218 Using quantum mechanics/molecular mechanics simulations, we de

219 In hybrid quantum mechanics/molecular mechanics simulations, we ob

220 collective movements are predicted by hybrid quantum mechanics/molecular mechanics simulations.

221 ing both static and dynamic first-principles quantum mechanics/molecular mechanics simulations.

222 and Ras.Ras-GTPase-activating protein using quantum mechanics/molecular mechanics simulations.

223 the enzyme alkaline phosphatase using hybrid Quantum Mechanics/Molecular Mechanics simulations.

224 In this work we present a quantum mechanics/molecular mechanics study into the mec

225 ioinformatics, molecular dynamics and hybrid quantum mechanics/molecular mechanics to analyze sequenc

226 les density functional theory and multiscale quantum mechanics/molecular mechanics, we report C-termi

227 ing molecular dynamics simulation and hybrid quantum mechanics/molecular mechanics, we show that ferr

228 By employing ab initio QM/MM-MD (Quantum Mechanics/Molecular Mechanics-Molecular Dynamics

229 odurans ribonuclease (RNase) H1 using hybrid quantum-mechanics/molecular mechanics (QM/MM) free energ

230 ns of membrane-embedded PSII with high-level quantum-mechanics/molecular-mechanics (QM/MM) calculatio

231 Here we investigate this reaction step by a quantum-mechanics/molecular-mechanics approach in combin

232 igurational perturbation theory to construct quantum-mechanics/molecular-mechanics models of Az48W(*)

233 We report quantum mechanics/molecule mechanics (QM/MM) free energy

234 nformation and studies of the foundations of quantum mechanics, OAM control of neutrons has yet to be

235 rhythm of applause and neuron firing to the quantum mechanics of coupled Josephson junctions, but ha

236 The quantum mechanics of position measurement of a macroscop

237 ties of all materials arise largely from the quantum mechanics of their constituent electrons under t

238 processes, even those exploiting the laws of quantum mechanics or involving an infinite-dimensional r

239 Using methods of supersymmetric quantum mechanics, pairs of bent waveguides are found wh

240 Quantum mechanics places a fundamental limit on the prec

241 Geometric phases in quantum mechanics play an extraordinary role in broadeni

242 In quantum mechanics, predictions are made by way of calcul

243 Quantum mechanics predicts that the equilibrium state of

244 Relativistic quantum mechanics predicts that when the charge of a sup

245 re, we present a combined molecular dynamics/quantum mechanics protocol that accurately predicts expe

246 Quantum mechanics provides a highly accurate description

247 framework for decision-making that, by using quantum mechanics, provides more generalised cognitive a

248 tion on a Ag(111) surface, based on coupling quantum mechanics (QM) and ambient-pressure X-ray photoe

249 electron delocalization (HOMED) analyses, of quantum mechanics (QM) and quantum mechanics/molecular m

250 amer library development methods that employ quantum mechanics (QM) and/or molecular mechanics (MM) e

251 ch typically means time-consuming high-level quantum mechanics (QM) calculations are required.

252 Quantum mechanics (QM) calculations confirm, as expected

253 We employ an extensive series of quantum mechanics (QM) calculations to delineate how the

254 ectrode surface experimentally, or carry out Quantum Mechanics (QM) calculations with a realistic des

255 Here, we carry out Quantum Mechanics (QM) calculations with an explicit des

256 We report results of quantum mechanics (QM) mechanistic studies of Nafion mem

257 We could start with quantum mechanics (QM) to ensure an accurate description

258 akes of these new COFs were determined using quantum mechanics (QM)-based force fields and grand cano

259 point for including such information is the quantum mechanics (QM).

260 ed molecular orbital and molecular mechanics(quantum mechanics:quantum mechanics')] computational stu

261 ions to update atomic partial charges of the quantum mechanics region and to ensure consistent electr

262 hods have been introduced, the complexity of quantum mechanics remains hard to appease.

263 ch argues that the consistency of elementary quantum mechanics requires that the electromagnetic fiel

264 Understanding the core content of quantum mechanics requires us to disentangle the hidden

265 In the early days of quantum mechanics, Schrodinger noticed that oscillations

266 Relativity and quantum mechanics show that even a single particle of ma

267 Combined with quantum mechanics simulations, this result provides insi

268 function and dimer interaction energies from quantum mechanics simulations.

269 eys the principles of general relativity and quantum mechanics, such a picture is, at most, a conveni

270 Quantum mechanics suggests that amorphous bands nucleate

271 Here we derive a semiclassical extension of quantum mechanics that applies to different metrics, but

272 ough a potential barrier is a key feature of quantum mechanics that goes to the core of wave-particle

273 nd points to a very interesting structure of quantum mechanics that was hitherto unnoticed.

274 In quantum mechanics, the Heisenberg uncertainty relation p

275 the light of applications of zero forcing in quantum mechanics, the link with Boolean functions may s

276 se results highlight the subtle interplay of quantum mechanics, thermodynamics and information theory

277 Here however we show that in quantum mechanics this is not true!

278 l methods (Molecular Dynamics, Semiempirical Quantum Mechanics, Time-Dependent Density Functional The

279 Then, we use quantum mechanics to determine the deformation mechanism

280 We use quantum mechanics to elucidate the mechanism for the rea

281 We utilize quantum mechanics to evaluate a variety of plausible mec

282 essure X-ray photoelectron spectroscopy with quantum mechanics to examine the processes as Ag is expo

283 imulation approach of molecular dynamics and quantum mechanics to investigate the binding modes of ph

284 We used quantum mechanics to investigate the reaction paths for

285 lize a combination of molecular dynamics and quantum mechanics to investigate the through-space and t

286 ing from tests of various collapse models of quantum mechanics to miniature quantum memory elements i

287 To provide design guidelines, we use quantum mechanics to predict the detailed atomistic mech

288 al potential kinetics (GCP-K) formulation of quantum mechanics to predict the kinetics as a function

289 ryptography exploits the fundamental laws of quantum mechanics to provide a secure way to exchange pr

290 uantum computers utilize the fundamentals of quantum mechanics to solve computational problems more e

291 aviour without assuming the applicability of quantum mechanics to the system in question, this experi

292 ink I can safely say that nobody understands quantum mechanics." Today we know that quantum theory de

293 e equations of general relativity, chaos and quantum mechanics via a universal geodesic equation.

294 n 1929, only three years after the advent of quantum mechanics, von Neumann and Wigner showed that Sc

295 study of magnetism dates back to the dawn of quantum mechanics when Bethe solved the famous Heisenber

296 his insight led us to develop an approach to quantum mechanics which relies on pre- and postselection

297 In reality, all physical systems obey quantum mechanics, which obeys no such rule.

298 We used density functional theory quantum mechanics with periodic boundary conditions to d

299 rising and counter-intuitive consequences of quantum mechanics, with potent applications in cryptogra

300 espondence between statistical mechanics and quantum mechanics, yielding an expression for the charac