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1041
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1042
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1043
Redundancy reduction for computational audition, a unifying approach
Published 2005Get full text
Thesis -
1044
Photoacoustic measurement of bandgaps of thermoelectric materials
Published 2014Get full text
Thesis -
1045
Tight bounds for the subspace sketch problem with applications
Published 2022Get full text
Journal Article -
1046
Development and application of computational tools to analyse selectivity in organic chemistry
Published 2016“…We begin with a discussion of the theory behind Computational Chemistry and also background to the ever growing field of organocatalysis, followed by a synopsis on the importance of asymmetry in synthesis.…”
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1047
Designing tandem catalytic reductive functionalisation strategies of carbonyl derivatives
Published 2022“…</p> <p>Chapter 2 provides a brief description of the Density Functional Theory-based computational methods that were used in Chapters 3 and 5 to complement the corresponding experimental findings.…”
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1048
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1049
Progress in Ski Jumping Technology Based on Biomechanical Sport Research Methods
Published 2024-03-01“…Based on the theory of computational fluid dynamics, the optimal drag reduction posture data of ski jumpers can be derived using computer simulations. (3) Conclusions: Due to the wide range of ski jumping sports, the present research focused on the kinematics and dynamics of different movement stages, lacking the study of the complete exercise training process. …”
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Article -
1050
NetworkExtinction: An R package to simulate extinction propagation and rewiring potential in ecological networks
Published 2023-08-01“…With NetworkExtinction, we integrate ecological theory and computational simulations to develop functionality with which users may analyse and visualize the structure and robustness of ecological networks. …”
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Article -
1051
Tracking the Amide I and αCOO− Terminal ν(C=O) Raman Bands in a Family of <span style="font-variant: small-caps">l</span>-Glutamic Acid-Containing Peptide Fragments: A Raman and DF...
Published 2021-08-01“…The hexapeptide is broken down into fragments increasing in size from dipeptides to hexapeptides, including EG, ED, EA, EGE, EDE, DEA, EGED, EDEA, EGEDE, GEDEA, and, finally, EGEDEA, which are investigated with experimental Raman spectroscopy and density functional theory (DFT) computations to model the zwitterionic crystalline solids (in vacuo). …”
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1052
Si<sub>3</sub>C Monolayer as an Efficient Metal-Free Catalyst for Nitrate Electrochemical Reduction: A Computational Study
Published 2023-10-01“…Herein, by means of density functional theory (DFT) computations, in which the Perdew–Burke–Ernzerhof (PBE) functional is obtained by considering the possible van der Waals (vdW) interaction using the DFT+D3 method, we explored the potential of several two-dimensional (2D) silicon carbide monolayers as metal-free NO<sub>3</sub>ER catalysts. …”
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1053
DISCRETE ATOMIC COMPRESSION OF DIGITAL IMAGES: ALMOST LOSSLESS COMPRESSION
Published 2019-03-01“…We use the methods of digital image processing, atomic function theory, and approximation theory. The computer program "Discrete Atomic Compression: User Kit" with the mode "Almost Lossless Compression" is used to obtain results of the DAC processing of test images. …”
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1054
Semi-empirical design and synthesis of novel 4-hydroxy-6-sulphonaphthyl azohydroxynaphthalenes with predominant hydrazone form
Published 2024-03-01“…The azo-hydrazone equilibria of 3a-e were further characterized using spectroscopic techniques and density functional theory (DFT).Computational design revealed that sulphonic acid substitution on the coupling components of the dyes and, solvation effect of the substituents were the highest contributors to hydrazone shift of the compounds. …”
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1055
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1056
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1057
AG Codes Achieve List Decoding Capacity over Constant-Sized Fields
Published 2024Get full text
Article -
1058
A Unified Approach to Learning Ising Models: Beyond Independence and Bounded Width
Published 2024Get full text
Article -
1059
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1060
Frustrated magnetism in the extended kagome lattice
Published 2014“…</p> <p>We use linear spinwave theory to compute the spin excitation spectrum numerically. …”
Thesis