Theoretical and Computational Chemistry.
概要
| 作品: | 317 作品在 258 項出版品 258 種語言 | |
|---|---|---|
書目資訊
Numerical methods for singularly perturbed differential equationsconvection-diffusion and flow problems /
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Self-organization of molecular systemsfrom molecules and clusters to nanotubes and proteins /
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(書目-電子資源)
Silicon Versus Carbonfundamental nanoprocesses, nanobiotechnology and risks assessment /
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Advances in the theory of atomic and molecular systemsConceptual and computational advances in quantum chemistry /
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Advances in the theory of atomic and molecular systemsDynamics, spectroscopy, clusters, and nanostructures /
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Solvation effects on molecules and biomoleculescomputational methods and applications /
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Computer-based modeling of novel carbon systems and their propertiesbeyond nanotubes /
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Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics /
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Biological functions for information and communication technologiestheory and inspiration /
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Electronic and magnetic properties of chiral molecules and supramolecular architectures
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Linear-scaling techniques in computational chemistry and physicsmethods and applications /
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Practical aspects of computational chemistry Ian overview of the last two decades and current trends /
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Self-assembly of flat organic molecules on metal surfacesa theoretical characterisation /
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Practical aspects of computational chemistry IIan overview of the last two decades and current trends /
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Principles of soft-matter dynamicsbasic theories, non-invasive methods, mesoscopic aspects /
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Complexity in chemistry and beyond: Interplay theory and experimentnew and old aspects of complexity in modern research /
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Investigation of reactions involving pentacoordinate intermediatesthe mechanism of the Wittig reaction /
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Theoretical chemistry in Belgiuma 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 functionaltowards 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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Introduction to computational mass transferwith applications to chemical engineering /
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Many-electron approaches in physics, chemistry and mathematicsa multidisciplinary view /
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Selectivity in the synthesis of cyclic sulfonamidesapplication in the synthesis of natural products /
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Non-linear optical response in atoms, molecules and clustersan explicit time dependent density functional approach /
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(書目-語言資料,印刷品)
Nonlinear hamiltonian mechanics applied to molecular dynamicstheory and computational methods for understanding molecular spectroscopy and chemical reactions /
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(書目-語言資料,印刷品)
Theoretical modeling of inorganic nanostructuressymmetry and ab-initio calculations of nanolayers, nanotubes and nanowires /
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(書目-電子資源)
Bonding in electron-rich moleculesqualitative valence-bond approach via increased-valence structures /
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Modification of magnetic properties of iron clusters by doping and adsorptionfrom a few atoms to nanoclusters /
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Control and prediction of solid-state of pharmaceuticalsexperimental and computational approaches /
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Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics /
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(書目-電子資源)
Introduction to computational mass transferwith applications to chemical engineering /
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New carbon-carbon coupling reactions based on decarboxylation and iron-catalyzed C-H activation
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Catalytic and process study of the selective hydrogenation of acetylene and 1,3-butadiene
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Correlations in condensed matter under extreme conditionsa tribute to Renato Pucci on the occasion of his 70th birthday /
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Quantum systems in physics, chemistry, and biologyadvances in concepts and applications /
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Advances in QSAR modelingapplications in pharmaceutical, chemical, food, agricultural and environmental sciences /
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Liganded silver and gold quantum clusterstowards a new class of nonlinear optical nanomaterials /
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On-surface synthesis IIproceedings of the International Workshop On-Surface Synthesis, San Sebastian, 27-30 June 2016 /
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Many-body approaches at different scalesa tribute to Norman H. March on the occasion of his 90th birthday /
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Computer algebra and materials physicsa practical guidebook to group theoretical computations in materials science /
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Unconventional computinga volume in the Encyclopedia of complexity and systems science, second edition /
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An epistemic foundation for scientific realismdefending realism without inference to the best explanation /
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Molecular spectroscopyexperiment and theory : from molecules to functional materials /
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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 environmentscomputational chemistry and catalysis viewpoints /
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Advances in computational toxicologymethodologies and applications in regulatory science /
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(書目-電子資源)
DNA systems under internal and external forcingan exploration using coarse-grained modelling /
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(書目-電子資源)
Theoretical chemistry for advanced nanomaterialsfunctional analysis by computation and experiment /
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(書目-電子資源)
Theoretical modeling of inorganic nanostructuressymmetry and ab initio calculations of nanolayers, nanotubes and nanowires /
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(書目-電子資源)
Time-resolved photoionisation studies of polyatomic moleculesexploring the concept of dynamophores /
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(書目-電子資源)
Hydrogen and hydrogen-containing molecules on murfacestowards the realization of sustainable hydrogen economy /
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Chemistry in actionmaking molecular movies with ultrafast electron diffraction and data science /
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Photoinduced molecular dynamics in solutionmultiscale modelling and the link to ultrafast experiments /
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Global atmospheric phenomena involving waterwater circulation, atmospheric electricity, and the greenhouse effect /
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Application of project management principles to the management of pharmaceutical R&D projects
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Mechanochemical processes in energetic materialsa computational and experimental investigation /
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21st century challenges in chemical crystallography.I,History and technical developments
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21st century challenges in chemical crystallography.II,Structural correlations and data interpretation
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Recent advances of the fragment molecular orbital methodenhanced performance and applicability /
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Melanin chemistry explored by quantum mechanicsinvestigations for mechanism identification and reaction design /
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Enhanced chitosan material for water treatmentapplications of multi-functional chitosan derivative /
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Memory functions, projection operators, and the defect techniquesome tools of the trade for the condensed matter physicist /
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Protein instability at interfaces during drug product developmentfundamental understanding, evaluation, and mitigation /
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Computational advances of Rh-catalyzed C-H functionalizationfrom elementary reaction to mechanism /
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Advances in methods and applications of quantum systems in chemistry, physics, and biology
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