Computer Applications in Chemistry.
Overview
| Works: | 92 works in 30 publications in 30 languages | |
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Titles
Computer-based structure elucidation from spectral data = the art of solving problems /
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In silico engineering of disulphide bonds to produce stable cellulase
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High Performance Computing in Science and Engineering, Garching 2004 = Transactions of the KONWIHR Result Workshop, October 14-15, 2004, Technical University of Munich, Garching, Germany /
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International Tables for Crystallography.. Volume G, . Definition and exchange of crystallographic data
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Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics /
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Computer Simulations of Liquid Crystals and Polymers = Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers Erice, Italy 16-22 July 2003 /
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High Performance Computing in Science and Engineering `04 = Transactions of the High Performance Computing Center Stuttgart (HLRS) 2004 /
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Chemometrics with R = multivariate data analysis in the natural sciences and life sciences /
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Computational chemistry and molecular modeling = principles and applications /
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Advanced Computer Simulation Approaches for Soft Matter Sciences.. II
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Chemogenomics and chemical genetics = a user's introduction for biologists, chemists and informaticians /
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Mathematical Methods and Modelling in Hydrocarbon Exploration and Production
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Advanced Computer Simulation Approaches for Soft Matter Sciences.. I
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Modeling Chemical Systems Using Cellular Automata = A textbook and laboratory manual /
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Collaborative and Distributed Chemical Engineering. From Understanding to Substantial Design Process Support = Results of the IMPROVE Project /
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The Fortran 2003 handbook = the complete syntax, features and procedures /
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A new-generation density functional = towards chemical accuracy for chemistry of main group elements /
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Highly accurate spectroscopic parameters from ab initio calculations = the interstellar molecules l-C3H+ and C4 /
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Computer simulation of polymeric materials = applications of the OCTA system /
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Concise guide to computing foundations = core concepts and select scientific applications /
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Quantitative infrared spectroscopy for understanding of a condensed matter
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The mathematical-function computation handbook = programming using the MathCW portable software library /
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Photophysics and photochemistry of a BODIPY-based photosensitizer = quantumchemical simulations /
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Advances in computational toxicology = methodologies 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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International Tables for Crystallography.. Volume G,. Definition and exchange of crystallographic data
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9th International Conference on Practical Applications of Computational Biology and Bioinformatics
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Interaktive Tafeln im naturwissenschaftlichen Unterricht = Entwicklung und Evaluation einer Fortbildungsmaßnahme für Chemielehrkräfte /
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Dipolar Correlation Spectroscopy = Higher-Order Correlation Terms in Three-Spin Double Electron-Electron Resonance (DEER) /
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Synthesis and Original Reactivity of Copper and Gold Complexes = σ-Bond Coordination, Oxidative Addition, Migratory Insertion /
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Mathematical Modeling and Scale-Up of Liquid Chromatography = With Application Examples /
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In Silico Engineering of Disulphide Bonds to Produce Stable Cellulase
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Excel und VBA = Einführung mit praktischen Anwendungen in den Naturwissenschaften /
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Computer–Based Structure Elucidation from Spectral Data = The Art of Solving Problems /
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Zweihundert Jahre Entwicklung der Theoretischen Chemie im deutschsprachigen Raum
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Numerische Untersuchungen zur Mischgüte beim Rühren von viskoplastischen Fluiden = Strömungssimulation für die Analyse von gerührten, rheologisch komplexen Fluiden /
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Concise Guide to Computing Foundations = Core Concepts and Select Scientific Applications /
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Highly Accurate Spectroscopic Parameters from Ab Initio Calculations = The Interstellar Molecules l-C3H+ and C4 /
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Modellbasierte Untersuchung der CO2-Abscheidung aus Kraftwerksabgasen = Vergleich zweier Alkanolamine /
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Computer Simulation of Polymeric Materials = Applications of the OCTA System /
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Dimetallzentren in Proteinen = Quanten- und molekularmechanische Rechnungen und nukleare inelastische Streuung an carboxylatverbrückten FeFe- und MnFe-Zentren in Proteinen /
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Multiscale Modeling and Simulation of Shock Wave-Induced Failure in Materials Science
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Advances in Computational Toxicology = Methodologies and Applications in Regulatory Science /
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Structural Bioinformatics: Applications in Preclinical Drug Discovery Process
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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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Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer = Quantumchemical Simulations /
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The Art of High Performance Computing for Computational Science, Vol. 1 = Techniques of Speedup and Parallelization for General Purposes /
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Computerapplikationen in der Mitteldeutschen Chemieregion – ein historischer Abriss
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Atomic Switch = From Invention to Practical Use and Future Prospects /
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Time-Resolved Photoionisation Studies of Polyatomic Molecules = Exploring the Concept of Dynamophores /
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Chemometrics with R = Multivariate Data Analysis in the Natural and Life Sciences /
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Theoretical Chemistry for Experimental Chemists = Pragmatics and Fundamentals /
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Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme = Investigating Photoexcitations in Large Biomolecular Systems /
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Selected Reaction Monitoring Mass Spectrometry (SRM-MS) in Proteomics = A Comprehensive View /
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