Computer Applications in Chemistry.
Overview
Works: | 71 works in 50 publications in 50 languages |
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Titles
High Performance Computing in Science and Engineering `04Transactions of the High Performance Computing Center Stuttgart (HLRS) 2004 /
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High Performance Computing on Vector SystemsProceedings of the High Performance Computing Center Stuttgart, March 2005 /
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Non-Linear Optical Properties of MatterFrom molecules to condensed phases
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Integrated Reaction and Separation OperationsModelling and experimental validation /
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Collaborative and Distributed Chemical Engineering. From Understanding to Substantial Design Process SupportResults of the IMPROVE Project /
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Mathematical modeling of biosensorsan introduction for chemists and mathematicians /
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Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics /
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Chemometrics with Rmultivariate data analysis in the natural sciences and life sciences /
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Chemogenomics and chemical geneticsa user's introduction for biologists, chemists and informaticians /
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Scientific data mining and knowledge discoveryprinciples and foundations /
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A new-generation density functionaltowards chemical accuracy for chemistry of main group elements /
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Consequences of combinatorial studies of positive electrodes for Li-ion batteries
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Computer-based structure elucidation from spectral datathe art of solving problems /
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Dipolar correlation spectroscopyhigher-order correlation terms in three-spin double electron-electron resonance (DEER) /
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Mathematical modeling and scale-up of liquid chromatographywith application examples /
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9th International Conference on Practical Applications of Computational Biology and Bioinformatics
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Synthesis and original reactivity of copper and gold complexes[beta]-bond coordination, oxidative addition, migratory insertion /
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Highly accurate spectroscopic parameters from ab initio calculationsthe interstellar molecules l-C3H+ and C4 /
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Computer simulation of polymeric materialsapplications of the OCTA system /
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Concise guide to computing foundationscore concepts and select scientific applications /
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OpenGeoSys tutorialComputational hydrology.II,Groundwater quality modeling /
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Quantitative infrared spectroscopy for understanding of a condensed matter
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The mathematical-function computation handbookprogramming using the MathCW portable software library /
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Multiscale modeling and simulation of shock wave-induced failure in materials science
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Structural bioinformaticsapplications in preclinical drug discovery process /
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Photophysics and photochemistry of a BODIPY-based photosensitizerquantumchemical simulations /
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Advances in computational toxicologymethodologies and applications in regulatory science /
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The art of high performance computing for computational science.Volume 1,Techniques of speedup and parallelization for general purposes
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The art of high performance computing for computational science.Vol. 2,Advanced techniques and examples for materials science
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Time-resolved photoionisation studies of polyatomic moleculesexploring the concept of dynamophores /
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Polarizable embedding for the algebraic-diagrammatic construction schemeinvestigating photoexcitations in large biomolecular systems /
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Theoretical chemistry for experimental chemistspragmatics and fundamentals /
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Chemometrics with Rmultivariate data analysis in the natural and life sciences /
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Selected reaction monitoring mass spectrometry (SRM-MS) in proteomicsa comprehensive view /
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Influence of internal degrees of freedom on electric and related molecular properties
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