Hybrid functional

Results: 109



#Item
61Theoretical chemistry / Chemical bonding / Computational chemistry / Atomic physics / Hybrid functional / Density functional theory / Electronic correlation / Basis set / Resonance / Chemistry / Physics / Quantum chemistry

Chemical Physics Letters[removed]–321 www.elsevier.com/locate/cplett Linear regression correction to first principle theoretical calculations – Improved descriptors and enlarged training set Xue-Mei Duan a, Zh

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:07
62Theoretical chemistry / Chemical bonding / Density functional theory / Hybrid functional / Energy minimization / Molecular orbital / Quantum chemistry composite methods / Chemistry / Computational chemistry / Quantum chemistry

8514 J. Phys. Chem. A 2004, 108, [removed]Improving the Accuracy of Density-Functional Theory Calculation: The Statistical Correction Approach

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:05
63Applied linguistics / Discourse analysis / Genre / Systemic functional grammar / Register / Context / Rhetoric / Foregrounding / Conjunct / Linguistics / Systemic functional linguistics / Sociolinguistics

367 ‘MANAGING EXPECTATIONS’: SOME REFLECTIONS ON A HYBRID GENRE Peter McDowell

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Source URL: humanities.curtin.edu.au

Language: English - Date: 2014-11-26 22:30:55
64Computational chemistry / Density functional theory / Hybrid functional / Basis set / Quantum chemistry composite methods / Chemistry / Theoretical chemistry / Quantum chemistry

Chemical Physics Letters[removed]–130 www.elsevier.com/locate/cplett Neural network correction for heats of formation with a larger experimental training set and new descriptors Xue-Mei Duan a, Zhen-Hua Li a,b, G

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Source URL: yangtze.hku.hk

Language: English - Date: 2010-12-19 08:35:09
65Proteomics / Biotechnology / Biological databases / Protein–protein interaction / Multiprotein complex / Gene regulatory network / Database of Interacting Proteins / Two-hybrid screening / Saccharomyces cerevisiae / Biology / Systems biology / Bioinformatics

Supplementary Information Methods Interaction retrieval and matrix construction: Proteins can have direct or indirect interactions with one another. Indirect interaction refers to being a member of the same functional m

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Source URL: www.barabasilab.com

Language: English - Date: 2008-04-11 15:57:19
66Near-infrared spectroscopy / Scattering / Infrared / Attenuation / Electromagnetic radiation / Physics / Spectroscopy

Use of a Hybrid Optical Spectrometer for the Measurement of Changes in Oxidized Cytochrome c Oxidase Concentration and Tissue Scattering During Functional Activation Arnab Ghosha, Ilias Tachtsidisb, Christina Kolyvab, Ch

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Source URL: discovery.ucl.ac.uk

Language: English - Date: 2014-01-03 10:24:56
67Nanotechnology / Nanomaterials / Bioremediation / Colloidal chemistry / Surfactant / Crystal / Soft matter / Quasicrystal / Amphiphile / Chemistry / Matter / Crystallography

From Hierarchical Structures to Hybrid Functional Materials:

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Source URL: www.depts.ttu.edu

Language: English - Date: 2014-09-03 14:34:25
68Continuous function / Margin classifier / Algebraic topology / Homotopy theory / Riemann surfaces / Holomorphic functional calculus / Meijer G-function / Mathematics / Mathematical analysis / Calculus

The Performance of a New Hybrid Classifier Based on Boxes and Nearest Neighbors Martin Anthony Joel Ratsaby

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Source URL: www.cs.uic.edu

Language: English - Date: 2013-08-09 14:57:11
69Cell biology / Systems biology / Two-hybrid screening / GAL4/UAS system / HIS3 / Bacterial one-hybrid system / Functional genomics / Biology / Molecular biology / Protein-protein interaction assays

hybrigenics_poster_2014v3

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Source URL: www.hybrigenics-services.com

Language: English - Date: 2014-06-23 05:12:54
70Science / Theoretical chemistry / Hybrid functional / Crystal / Gaussian / Computational chemistry / Chemistry / Density functional theory / Physics

Density Functional Calculations with PARAGAUSS Perspectives for modeling catalyst materials Notker Rösch Department Chemie and

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Source URL: www.lrz.de

Language: English - Date: 2014-07-28 09:29:19
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