Chemistry, Physical and theoretical.
Overview
| Works: | 268 works in 51 publications in 51 languages | |
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Titles
Physical chemistry in a nutshell = basics for engineers and scientists /
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Biochemistry, biophysics, and molecular chemistry = applied research and interactions /
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Luminescent Materials = A Quantum Chemical Approach for Computer-Aided Discovery and Design /
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Ferroelectric Perovskites for High-Speed Memory = A Mechanism Revealed by Quantum Bonding Motion /
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Proceedings of the 7th International Conference on the Applications of Science and Mathematics 2021 = Sciemathic 2021 /
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Single Molecule Toroics = Synthetic Strategies, Theory and Applications /
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High Temperature Physicochemical Properties of High Alumina Blast Furnace Slag
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High Performance Computing in Science and Engineering '20 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2020 /
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Materials Interaction with Femtosecond Lasers = Theory and Ultra-Large-Scale Simulations of Thermal and Nonthermal Pheomena /
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Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology
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High Performance Computing in Science and Engineering '19 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2019 /
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Memory Functions, Projection Operators, and the Defect Technique = Some Tools of the Trade for the Condensed Matter Physicist /
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Enhanced Chitosan Material for Water Treatment = Applications of Multi-Functional Chitosan Derivative /
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Protein Instability at Interfaces During Drug Product Development = Fundamental Understanding, Evaluation, and Mitigation /
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Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile = In Honor of William A. Goddard’s Contributions to Science and Engineering /
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Recent Advances of the Fragment Molecular Orbital Method = Enhanced Performance and Applicability /
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Melanin Chemistry Explored by Quantum Mechanics = Investigations for Mechanism Identification and Reaction Design /
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Computational Advances of Rh-Catalyzed C–H Functionalization = From Elementary Reaction to Mechanism /
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Foundations of Molecular Modeling and Simulation = Select Papers from FOMMS 2018 /
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21st Century Challenges in Chemical Crystallography II = Structural Correlations and Data Interpretation /
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21st Century Challenges in Chemical Crystallography I = History and Technical Developments /
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Global Atmospheric Phenomena Involving Water = Water Circulation, Atmospheric Electricity, and the Greenhouse Effect /
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Novel Coronavirus 2019 = In-silico Vaccine Design and Drug Discovery /
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Theoretical Modeling of Inorganic Nanostructures = Symmetry and ab initio Calculations of Nanolayers, Nanotubes and Nanowires /
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Computer Meets Theoretical Physics = The New Frontier of Molecular Simulation /
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Chemistry in Action: Making Molecular Movies with Ultrafast Electron Diffraction and Data Science
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Mechanochemical Processes in Energetic Materials = A Computational and Experimental Investigation /
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Mathematical Physical Chemistry = Practical and Intuitive Methodology /
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Theoretical Chemistry for Experimental Chemists = Pragmatics and Fundamentals /
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Handbook of Materials Modeling = Applications: Current and Emerging Materials /
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Theoretical Chemistry for Advanced Nanomaterials = Functional Analysis by Computation and Experiment /
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Theory and Simulation in Physics for Materials Applications = Cutting-Edge Techniques in Theoretical and Computational Materials Science /
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Molecular Simulation on Cement-Based Materials = From Theory to Application /
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Lectures in Classical Thermodynamics with an Introduction to Statistical Mechanics
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The Science and Business of Drug Discovery = Demystifying the Jargon /
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Molecular Dynamics Simulations in Statistical Physics: Theory and Applications
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Generalisierte Markov-Modellierung = Modellierung irreversibler β-Amyloid-Peptid-Dynamik unter Mikrowelleneinfluss /
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Application of Project Management Principles to the Management of Pharmaceutical R&D Projects
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Direct Hydroxylation of Methane = Interplay Between Theory and Experiment /
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An Introduction to Cold and Ultracold Chemistry = Atoms, Molecules, Ions and Rydbergs /
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Advances in Quantum Systems in Chemistry, Physics, and Biology = Selected Proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) /
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Time-Resolved Photoionisation Studies of Polyatomic Molecules = Exploring the Concept of Dynamophores /
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Solid-State Electrochemistry = Essential Course Notes and Solved Exercises /
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Conical Intersections in Physics = An Introduction to Synthetic Gauge Theories /
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Hydrogen and Hydrogen-Containing Molecules on Metal Surfaces = Towards the Realization of Sustainable Hydrogen Economy /
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Handbook of Materials Modeling = Applications: Current and Emerging Materials /
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Physical chemistry of polymer solutions = theoretical background /
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Spectroscopy, dynamics and molecular thoery of carbon plasmas and vapors = advances in the understanding of the most complex high-temperature elemental system /
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The physical chemistry of materials = energy and environmental applications /
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The non-ergodic nature of internal conversion = an experimental and theoretical approach /
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Advances in the theory of quantum systems in chemistry and physics
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Liquid-state physical chemistry = fundamentals, modeling, and applications /
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Marco Antonio Chaer Nascimento = a festschrift from theoretical chemistry accounts /
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Theoretical chemistry in Belgium = a topical collection from theoretical chemistry accounts /
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Semiconductor nanoclusters--physical, chemical, and catalytic aspects
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Progress in organic and physical chemistry = structures and mechanisms /
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Light-responsive nanostructured systems for applications in nanomedicine
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Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme = Investigating Photoexcitations in Large Biomolecular Systems /
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Computer simulation tools for X-ray analysis = scattering and diffraction methods /
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Physical chemistry from a different angle = introducing chemical equilibrium, kinetics and electrochemistry by numerous experiments /
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Peter R. Surjan = a festschrift from theoretical chemistry accounts /
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Technology of dispersed systems and materials = physicochemical dynamics of structure formation and rheology /
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Membrane proteins in aqueous solutions = from detergents to amphipols /
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Materials chemistry = a multidisciplinary approach to innovative methods /
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Quantum chemical approach for organic ferromagnetic material design
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High Performance Computing in Science and Engineering ‘14 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014 /
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Transient Changes in Molecular Geometries and How to Model Them = Simulating Chemical Reactions of Metal Complexes in Solution to Explore Dynamics, Solvation, Coherence, and the Link to Experiment /
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Calculations on nonlinear optical properties for large systems = The elongation method /
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Modelling Electroanalytical Experiments by the Integral Equation Method
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Molecular Structures and Structural Dynamics of Prion Proteins and Prions = Mechanism Underlying the Resistance to Prion Diseases /
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Theoretical Modeling of Inorganic Nanostructures = Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires /
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Single Molecular Machines and Motors = Proceedings of the 1st International Symposium on Single Molecular Machines and Motors, Toulouse 19-20 June 2013 /
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Frontiers in Quantum Methods and Applications in Chemistry and Physics = Selected Proceedings of QSCP-XVIII (Paraty, Brazil, December, 2013) /
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Hans Hellmann: Einführung in die Quantenchemie = Mit biografischen Notizen von Hans Hellmann jr. /
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Thom H. Dunning, Jr. = A Festschrift from Theoretical Chemistry Accounts /
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Exotic Properties of Carbon Nanomatter = Advances in Physics and Chemistry /
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Gregory S. Ezra = A Festschrift from Theoretical Chemistry Accounts /
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Zweihundert Jahre Entwicklung der Theoretischen Chemie im deutschsprachigen Raum
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The Chemistry of Zirconacycles and 2,6-Diazasemibullvalenes = Synthesis, Structures, Reactions, and Applications in the Synthesis of Novel N-Heterocycles /
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9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) = A Conference Selection from Theoretical Chemistry Accounts /
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High Performance Computing in Science and Engineering ´15 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015 /
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On-Surface Synthesis = Proceedings of the International Workshop On-Surface Synthesis, École des Houches, Les Houches 25-30 May 2014 /
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High Performance Computing in Science and Engineering ´16 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2016 /
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Stochasticity in Processes = Fundamentals and Applications to Chemistry and Biology /
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Control and Prediction of Solid-State of Pharmaceuticals = Experimental and Computational Approaches /
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Isaiah Shavitt = A Memorial Festschrift from Theoretical Chemistry Accounts /
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Bonding in Electron-Rich Molecules = Qualitative Valence-Bond Approach via Increased-Valence Structures /
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Péter R. Surján = A Festschrift from Theoretical Chemistry Accounts /
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Analysis of Samples of Clinical and Alimentary Interest with Paper-based Devices
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Computational Chemistry = Introduction to the Theory and Applications of Molecular and Quantum Mechanics /
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Non-Relativistic QED Theory of the van der Waals Dispersion Interaction
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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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An Epistemic Foundation for Scientific Realism = Defending Realism Without Inference to the Best Explanation /
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Advanced Undergraduate Quantum Mechanics = Methods and Applications /
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Unconventional Computing = A Volume in the Encyclopedia of Complexity and Systems Science, Second Edition /
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Topological Matter = Lectures from the Topological Matter School 2017 /
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Computational Materials Science = From Ab Initio to Monte Carlo Methods /
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Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics = Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016) /
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Carbohydrate-Based Interactions at the Molecular and the Cellular Level
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Mathematical Physical Chemistry = Practical and Intuitive Methodology /
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On-Surface Synthesis II = Proceedings of the International Workshop On-Surface Synthesis, San Sebastián, 27-30 June 2016 /
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Computer Algebra and Materials Physics = A Practical Guidebook to Group Theoretical Computations in Materials Science /
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Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials
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Advanced Computing in Industrial Mathematics = 11th Annual Meeting of the Bulgarian Section of SIAM December 20-22, 2016, Sofia, Bulgaria. Revised Selected Papers /
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Theoretical Femtosecond Physics = Atoms and Molecules in Strong Laser Fields /
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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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Quantum Computational Chemistry = Modelling and Calculation for Functional Materials /
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Influence of Particle Beam Irradiation on the Structure and Properties of Graphene
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High Performance Computing in Science and Engineering ' 17 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2017 /
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Physical chemistry for chemists and chemical engineers = multidisciplinary research perspectives /
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Physical chemistry for engineering and applied sciences = theoretical and methodological implications /
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Advances in Computational Toxicology = Methodologies and Applications in Regulatory Science /
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High Performance Computing in Science and Engineering ' 18 = Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2018 /
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Molecular Spectroscopy—Experiment and Theory = From Molecules to Functional Materials /
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Photoinduced Molecular Dynamics in Solution = Multiscale Modelling and the Link to Ultrafast Experiments /
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DNA Systems Under Internal and External Forcing = An Exploration Using Coarse-Grained Modelling /
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Flash Computation and EoS Modelling for Compositional Thermal Simulation of Flow in Porous Media
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Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes = From Bioinformatics to Molecular Quantum Mechanics /
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Computerapplikationen in der Mitteldeutschen Chemieregion – ein historischer Abriss
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Transition Metals in Coordination Environments = Computational Chemistry and Catalysis Viewpoints /
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