Papers

With Tag: Computational Chemistry

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Large and frequently occurring substructures in organic compounds obtained by library search of infrared spectra

Plamen N Penchev, Kurt Varmuza, Heinz Scsibrany
Vibrational Spectroscopy | 1999 | 10.1016/S0924-2031(98)00069-1

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Cognitive learning and the multimodal memory game: Toward human-level machine learning

Byoungtak Zhang
2008 | 10.1109/IJCNN.2008.4634261

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High-Performance Parallel and Distributed Scientific Computing with the Common Component Architecture

David E Bernholdt
2004 | 10.1007/978-3-540-24688-6_1

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Implementation of the WRF-Chem model in Grid Computing and GPU for regional air quality forecasting

Ian M Hedgecock, Chaker El Amrani
2012 | 10.1109/IGARSS.2012.6350340

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Finding the neighborhood of a query in a dictionary

Michal Parnas, Yuval Harari, Danny Dolev
1993 | 10.1109/ISTCS.1993.253486

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Dispersion Interactions between Rare Gas Atoms: Testing the London Equation Using ab Initio Methods

Arthur M Halpern
Journal of Chemical Education | 2011

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Going Full Circle: Phase‐Transition Thermodynamics of Ionic Liquids

Sergey P Verevkin, Ingo Krossing, Ulrich Preiss, Thorsten Koslowski
Chemistry: A European Journal | 2011 | 10.1002/chem.201003150

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Hemoglobin as a Nitrite Anhydrase: Modeling Methemoglobin‐Mediated N2O3 Formation

Kathrin H Hopmann, Bruno Cardey, Abhik Ghosh, Mark T Gladwin, Daniel B Kimshapiro
Chemistry: A European Journal | 2011 | 10.1002/chem.201003578

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The decarboxylation and dehydration reactions of monomeric formic acid

Journal of Chemical Physics | 1992 | 10.1063/1.462203

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Design of Low Cost, Highly Adsorbent Activated Carbon Fibers

Christian L Mangun
2003

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Calcium-bound structure of calpain and its mechanism of inhibition by calpastatin

Robert L Campbell, Peter L Davies, R Hanna
Nature | 2008 | 10.1038/nature07451

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Enantioselective Adsorption in Achiral Zeolites

Angewandte Chemie | 2010 | 10.1002/anie.200906083

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Computational Chemistry Study on Initial Stages of Nitridation of Silicon Surfaces.

Japanese Journal of Applied Physics | 2000

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GmFT2a , a Soybean Homolog of FLOWERING LOCUS T , Is Involved in Flowering Transition and Maintenance

PLOS ONE | 2011 | 10.1371/journal.pone.0029238

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