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1 ing were calculated using density functional theory.
2 We complement our data by a quantitative theory.
3 studied carefully by means of experiment and theory.
4 r an alternative perspective: semantic space theory.
5 lowest energy scales by the Luttinger liquid theory.
6 use that space has not yet been described in theory.
7 ns about prices and quantities from economic theory.
8 rvival but not in the direction predicted by theory.
9 d that need to be incorporated into existing theory.
10 esentations of gist at its core, fuzzy-trace theory.
11 horizontally transferred gene to prove this theory.
12 simplicity, which is fundamental to Gestalt theory.
13 and is well described by a phenomenological theory.
14 trajectories, using principles from control theory.
15 xical within the framework of optimal choice theory.
16 um salts is explored with density functional theory.
17 tablished principles of electrophysiological theory.
18 slower than expectations based on simplified theory.
19 ocess set out within constructivist grounded theory.
20 ely data driven and agnostic to evolutionary theory.
21 ates is not controllable in terms of control theory.
22 temperature dependence predicted by the LKSR theory.
23 show us the way to integrate simulation with theory.
24 parameter at the core of Density Functional Theory.
25 copies that exist, along with the results of theory.
26 onal details required to validate speciation theory.
27 intuitive local pictures and simple analytic theory.
28 an important but separate role in validating theories.
29 se, and conceptual developments and a priori theories.
30 matter fields in context of the Gauss-Bonnet theories.
31 ies in patients inconsistently support these theories.
32 ognition develops needs to be central to our theories.
33 of the relevant biological and computational theories.
36 n or parents) with dynamic and bidirectional theories about the interdependence of children and paren
42 ss this question empirically, we bridged art theory and cognitive research and designed an experiment
47 will advance the development of range limit theory and its applications to biodiversity conservation
48 dehyde to NO(2) (HCHO/NO(2)), developed from theory and modeling, has previously been used to indicat
49 n the computational side, density functional theory and noncovalent interaction analysis reveal that
51 ariations in ecological rates of change, the theory and practice of managing ecological systems shoul
56 l developmental science framework integrates theory and research on single-generation development (i.
57 ications of the work carried out to date for theory and research, and points toward next steps for ad
58 ll help to bridge the gap between ecological theory and the complex dynamics observed in metagenomic
64 cialty care prevention settings, discuss the theory- and practice-based criteria of a rapid diet scre
67 mon B3LYP/6-31G* level of density functional theory are in excellent agreement with reactivity determ
68 ations for the resulting [Formula: see text] theory are obtained and show that particles follow non-g
70 previously evaluated by developing a kinetic theory based on a simplified one-dimensional model for O
73 ing levels of influence has been proposed in theory but blocked by data limitations in the United Sta
74 The purpose of replication is to advance theory by confronting existing understanding with new ev
75 ested prediction of Cultural Group Selection theory, by assessing whether readiness to cooperate betw
76 r dynamics simulation and density functional theory calculation, showing a unique chemical recognitio
79 n principles supported by density functional theory calculations for engineering analogs of this clas
90 ture characterization and density functional theory calculations suggest that the interaction between
91 tic resonance studies and density functional theory calculations were carried out on the substrate-Fe
93 surfaces as confirmed by density functional theory calculations, demonstrating the potential of poro
103 the synergy between far-IR spectroscopy and theory can provide an unprecedented picture of the struc
105 ominently from conceptual density functional theory (CDFT)-of the relative importance of electrostati
108 ecipitation in North America, and models and theory consistently suggest continued increases with fut
109 show that the original elements of the codon theory continue to make important predictions for cerebe
110 w live in middle-income democracies that, in theory, could use their resources to end extreme poverty
111 nits, identified by using density functional theory coupled with an evolutionary structure-predicting
115 Spin-polarized periodic density functional theory (DFT) and nonperiodic DFT calculations are deploy
116 s of these reactions with density functional theory (DFT) and show that they involve ambimodal [6+4]/
119 O), which we propose from density functional theory (DFT) calculations predisposes the copper active
121 solid-state structure and density functional theory (DFT) calculations revealed that the Si=C bonds a
122 hly puzzling, as previous density functional theory (DFT) calculations showed that all the possible s
124 titration experiments and density functional theory (DFT) calculations support the results obtained f
125 In this work, we use density functional theory (DFT) calculations to examine the electronic prop
128 d data, in agreement with density-functional theory (DFT) calculations, shows continuous red-shifts a
134 infrared spectroscopy and density functional theory (DFT) modeling, targeting methanol formation from
137 ossible, we have employed density functional theory (DFT) to develop a more complete understanding of
138 model was developed using density functional theory (DFT) to potentially predict the titanium oxides
140 I define this CLHZ using lipid solubility theory, diving data, and results from animal laboratory
144 d lengths determined from density functional theory explain the origin of the ferroelectricity, i.e.
146 etic approach complemented by a hydrodynamic theory for agents with mixed alignment symmetries, which
151 h as bosons and fermions in a lattice, gauge theories, high-temperature superconductors, quantum spin
152 review, we illustrate the utility of network theory in biological systems and investigate modern tech
156 advances in plant hydraulics and optimality theory into LSMs, and an alternative to empirical stress
157 tential, and suggest that incorporating such theory into next-generation trait-based terrestrial bios
159 analyses and the hard-soft acid-base (HSAB) theory is advanced to explain the observed reactivity tr
162 Recently introduced [Formula: see text] theory is generalized by adding dependence on the arbitr
173 a stronger integration of ideas from network theory may provide insight into metapopulation processes
177 y of affected connections is consistent with theories of accelerated and/or delayed maturation, but m
182 with systems consolidation and computational theories of episodic memory, evidence from model organis
184 eace "is." In this study, we examine the lay theories of peace of citizens embroiled in a prolonged e
194 of a search algorithm rooted in the ergodic theory of dynamical systems which can accommodate comple
197 his open problem, presenting a comprehensive theory of five rational design principles for achieving
200 the fact that Isaac Newton came up with his theory of gravity whilst quarantined during the bubonic
202 ective host plant defenses and warranted the theory of host specialization for generalist aphids.
203 r sequencing data, we develop a quantitative theory of human T cell dynamics compatible with the stat
206 This suggests a new way of understanding theory of mind-one that is focused on understanding othe
207 with deep implications for neuroscience and theory of neural networks, has no solid theoretical grou
209 s with parametric statistical models and the theory of phase transitions in statistical physics.
210 From this redundancy reduction hypothesis, a theory of retinal color coding emerged in which the thre
212 nected recurrent rate networks and develop a theory of the transient sequential activity observed aft
228 dings are in line with predictive processing theories proposing that neurons in the deep cortical lay
230 etic) resonance stabilization embedded in VB theory provides a natural and elegant framework for anal
232 electronic properties, and indicate that the theory provides a universal guidance for optimizing phas
233 ond (VB) perspective and demonstrate that VB theory readily enables a clear-cut resolution of both of
235 s finding rules out of a majority of current theories related to the crime and proposes diatoms as a
239 putations at the level of density functional theory show how the terminal OH groups on node vacancies
241 campal subfields, in line with computational theories.SIGNIFICANCE STATEMENT The flexibility of episo
242 ectra with time-dependent density functional theory simulations, we unravel the full relaxation pathw
243 cules using any available combination of DFT theory, solvent model, and NMR-active nuclei, using both
245 tal studies, we performed density functional theory studies on large active site cluster models.
246 d on the experimental and density functional theory studies, we propose a catalytic cycle for the pro
247 by detailed computational density functional theory studies, which fully address multi-spin-state rea
248 roscopy) and theoretical (Density Functional Theory) studies reveal that, regardless of the metal ide
254 too shallow for hydrate formation, existing theories suggest that gas migration occurs via capillary
256 vailability models arising from life history theory suggest that socioeconomic conditions influence i
257 ified landscapes, spatial nutrient transport theory suggests that such instabilities can be amplified
258 play in conceptual processing, with embodied theories supporting their direct involvement in processi
260 mechanical time-dependent density functional theory (TDDFT) calculations indicate that the fluorescen
261 Applications of machine learning and graph theory techniques to neuroscience have witnessed an incr
263 d by such observations, we propose a kinetic theory that addresses the nonadiabatic evolution of a ne
266 rge) migrants counters prevailing ecological theory that predicts different traits to be favored unde
268 Our network-based approach supports the theory that the position of a start-up within its ecosys
272 this paper, we draw on common-pool resource theory to argue that indigenous territories, when grante
273 l studies applying hybrid density functional theory to cluster models of the bimetallic active sites
274 ) hypothesis provides the most comprehensive theory to date of the biological and cultural evolution
277 od combines computational geometry and graph theory to measure the degree of order of any packed tiss
278 carry out calculations at various levels of theory to obtain insight into the properties of molecula
280 esis, we extend photosynthetic co-ordination theory to predict the acclimation of R(d) to growth temp
281 muscle capillary numbers with O(2) diffusion theory to propose a novel active role for capillaries th
282 ta delivers an ultra-sensitive benchmark for theory to reproduce, guiding the development of accurate
283 ning probe microscopy and density functional theory to reveal how the generation of S-vacancies withi
285 us to apply principles derived from learning theory to understand the evolution of multi-dimensional
286 ntervention, aligned with self-determination theory, trained older adolescent mentors and in-class pe
294 ethods and quasi-classical and fully quantum theory, we found that a synchronous movement can occur d
297 al systems engineering, and a neurocognitive theory with abstract representations of gist at its core