Theoretical and Computational Chemistry.
Overview
| Works: | 97 works in 96 publications in 96 languages | |
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Titles
Practical aspects of computational chemistry I = an overview of the last two decades and current trends /
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Numerical methods for singularly perturbed differential equations = convection-diffusion and flow problems /
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The Jahn-Teller effect = fundamentals and implications for physics and chemistry /
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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 '08 = transactions of the High Performance Computing Center, Stuttgart (HLRS) 2008 /
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Investigation of reactions involving pentacoordinate intermediates = the mechanism of the Wittig reaction /
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Electronic and magnetic properties of chiral molecules and supramolecular architectures
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Multi-scale quantum models for biocatalysis = modern techniques and applications /
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High Performance Computing in Science and Engineering `07 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2007 /
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Self-assembly of flat organic molecules on metal surfaces = a theoretical characterisation /
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Linear-scaling techniques in computational chemistry and physics = methods and applications /
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Compendium of quantum physics = concepts, experiments, history, and philosophy /
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Quantum systems in chemistry and physics = progress in methods and applications /
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Advances in the theory of atomic and molecular systems = Conceptual and computational advances in quantum chemistry /
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Complexity in chemistry and beyond: Interplay theory and experiment = new and old aspects of complexity in modern research /
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Computational chemistry and molecular modeling = principles and applications /
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High performance computing in science and engineering '11 = transactions of the High Performance Computing Center, Stuttgart (HLRS) 2011 /
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Practical aspects of computational chemistry II = an overview of the last two decades and current trends /
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Advances in the theory of atomic and molecular systems = Dynamics, spectroscopy, clusters, and nanostructures /
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Solvation effects on molecules and biomolecules = computational methods and applications /
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Silicon Versus Carbon = fundamental nanoprocesses, nanobiotechnology and risks assessment /
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Vibronic interactions and the Jahn-Teller effect = theory and applications /
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Topics in theoretical and computational nanoscience = from controlling light at the nanoscale to calculating quantum effects with classical electrodynamics /
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Solving ordinary differential equations II = stiff and differential-algebraic problems /
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Trends in computational nanomechanics = transcending length and time scales /
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Radiation induced molecular phenomena in nucleic acids = a comprehensive theoretical and experimental analysis /
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Entropies of condensed phases and complex systems = a first principles approach /
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Self-organization of molecular systems = from molecules and clusters to nanotubes and proteins /
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High performance computing in science and engineering '10 = transactions of the High Performance Computing Center, Stuttgart (HLRS) 2010 /
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Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics /
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Steric effects in the chemisorption of vibrationally excited methane on nickel
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Radioactivity Radionuclides Radiation = Including the Universal Nuclide Chart on CD-ROM /
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Principles of soft-matter dynamics = basic theories, non-invasive methods, mesoscopic aspects /
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Modeling Chemical Systems Using Cellular Automata = A textbook and laboratory manual /
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High performance computing in science and engineering, Garching/Munich 2009 = transactions of the fourth joint HLRB and KONWIHR Review and Results Workshop, Dec. 8-9, 2009, Leibniz Supercomputing Centre, Garching/Munich, Germany /
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Principles of evolution = from the Planck Epoch to complex multicellular life /
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Computer-based modeling of novel carbon systems and their properties = beyond nanotubes /
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Biological functions for information and communication technologies = theory and inspiration /
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Multiscale and multiphysics computational frameworks for nano- and bio-systems
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