Theoretical and Computational Chemistry.
概要
| 作品: | 298 作品在 239 項出版品 239 種語言 | |
|---|---|---|
書目資訊
Modeling Chemical Systems Using Cellular Automata = A textbook and laboratory manual /
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Radioactivity Radionuclides Radiation = Including the Universal Nuclide Chart on CD-ROM /
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Numerical methods for singularly perturbed differential equations = convection-diffusion and flow problems /
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Practical aspects of computational chemistry II = an overview of the last two decades and current trends /
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Principles of soft-matter dynamics = basic theories, non-invasive methods, mesoscopic aspects /
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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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Introduction to computational mass transfer = with applications to chemical engineering /
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Calculations on nonlinear optical properties for large systems = the elongation method /
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Bonding in electron-rich molecules = qualitative valence-bond approach via increased-valence structures /
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New carbon-carbon coupling reactions based on decarboxylation and iron-catalyzed C-H activation
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Correlations in condensed matter under extreme conditions = a tribute to Renato Pucci on the occasion of his 70th birthday /
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DNA systems under internal and external forcing = an exploration using coarse-grained modelling /
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Theoretical chemistry for advanced nanomaterials = functional analysis by computation and experiment /
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Radiation induced molecular phenomena in nucleic acids = a comprehensive theoretical and experimental analysis /
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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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High performance computing in science and engineering '08 = transactions of the High Performance Computing Center, Stuttgart (HLRS) 2008 /
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Multi-scale quantum models for biocatalysis = modern techniques and applications /
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Self-organization of molecular systems = from molecules and clusters to nanotubes and proteins /
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Silicon Versus Carbon = fundamental nanoprocesses, nanobiotechnology and risks assessment /
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Solvation effects on molecules and biomolecules = computational methods and applications /
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Solving ordinary differential equations II = stiff and differential-algebraic problems /
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Computer-based modeling of novel carbon systems and their properties = beyond nanotubes /
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Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics /
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Biological functions for information and communication technologies = theory and inspiration /
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Electronic and magnetic properties of chiral molecules and supramolecular architectures
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Practical aspects of computational chemistry I = an overview of the last two decades and current trends /
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Theoretical chemistry in Belgium = a topical collection from theoretical chemistry accounts /
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Modelling the dissociation dynamics and threshold photoelectron spectra of small halogenated molecules
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A new-generation density functional = towards chemical accuracy for chemistry of main group elements /
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Growth mechanisms and novel properties of silicon nanostructures from quantum-mechanical calculations
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Many-electron approaches in physics, chemistry and mathematics = a multidisciplinary view /
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Selectivity in the synthesis of cyclic sulfonamides = application in the synthesis of natural products /
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Non-linear optical response in atoms, molecules and clusters = an explicit time dependent density functional approach /
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Modification of magnetic properties of iron clusters by doping and adsorption = from a few atoms to nanoclusters /
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Control and prediction of solid-state of pharmaceuticals = experimental and computational approaches /
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Computational chemistry = introduction to the theory and applications of molecular and quantum mechanics /
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Introduction to computational mass transfer = with applications to chemical engineering /
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Catalytic and process study of the selective hydrogenation of acetylene and 1,3-butadiene
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Quantum systems in physics, chemistry, and biology = advances in concepts and applications /
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Advances in QSAR modeling = applications in pharmaceutical, chemical, food, agricultural and environmental sciences /
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Quantum computational chemistry = modelling and calculation for functional materials /
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Liganded silver and gold quantum clusters = towards a new class of nonlinear optical nanomaterials /
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On-surface synthesis II = proceedings of the International Workshop On-Surface Synthesis, San Sebastian, 27-30 June 2016 /
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Many-body approaches at different scales = a tribute to Norman H. March on the occasion of his 90th birthday /
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Flash Ccomputation and EoS modelling for compositional thermal simulation of flow in porous media
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Transition metals in coordination environments = computational chemistry and catalysis viewpoints /
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Advances in computational toxicology = methodologies and applications in regulatory science /
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Hydrogen and hydrogen-containing molecules on murfaces = towards the realization of sustainable hydrogen economy /
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Materials interaction with femtosecond lasers = theory and ultra-large-scale simulations of thermal and nonthermal pheomena /
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Global atmospheric phenomena involving water = water circulation, atmospheric electricity, and the greenhouse effect /
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Investigation of reactions involving pentacoordinate intermediates = the mechanism of the Wittig reaction /
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Molecular spectroscopy = experiment and theory : from molecules to functional materials /
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Time-resolved photoionisation studies of polyatomic molecules = exploring the concept of dynamophores /
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Recent advances of the fragment molecular orbital method = enhanced performance and applicability /
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Protein instability at interfaces during drug product development = fundamental understanding, evaluation, and mitigation /
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Computational advances of Rh-catalyzed C-H functionalization = from elementary reaction to mechanism /
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Melanin chemistry explored by quantum mechanics = investigations for mechanism identification and reaction design /
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Enhanced chitosan material for water treatment = applications of multi-functional chitosan derivative /
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Photoinduced molecular dynamics in solution = multiscale modelling and the link to ultrafast experiments /
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Chemistry in action = making molecular movies with ultrafast electron diffraction and data science /
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Advances in methods and applications of quantum systems in chemistry, physics, and biology
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Application of project management principles to the management of pharmaceutical R&D projects
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An introduction to cold and ultracold chemistry = atoms, molecules, ions and Rydbergs /
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Mechanochemical processes in energetic materials = a computational and experimental investigation /
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21st century challenges in chemical crystallography.. I,. History and technical developments
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