Theoretical and Computational Chemistry.
Overview
| Works: | 102 works in 102 publications in 102 languages | |
|---|---|---|
Titles
Multiscale molecular methods in applied chemistry[electronic resource] /
by:
(Language materials, printed)
Vibronic interactions and the Jahn-Teller effect[electronic resource] :theory and applications /
by:
(Language materials, printed)
Advances in the theory of quantum systems in chemistry and physics[electronic resource] /
by:
(Language materials, printed)
High performance computing on vector systems 2011[electronic resource] /
by:
(Language materials, printed)
Specific intermolecular interactions of organic compounds[electronic resource] /
by:
(Language materials, printed)
Theory of charge transport in carbon electronic materials[electronic resource] /
by:
(Language materials, printed)
Practical aspects of computational chemistry I[electronic resource] :an overview of the last two decades and current trends /
by:
(Language materials, printed)
High performance computing in science and engineering '11[electronic resource] :transactions of the High Performance Computing Center, Stuttgart (HLRS) 2011 /
by:
(Language materials, printed)
Fundamentals of time-dependent density functional theory[electronic resource] /
by:
(Language materials, printed)
Steric effects in the chemisorption of vibrationally excited methane on nickel[electronic resource] /
by:
(Language materials, printed)
Tensor spaces and numerical tensor calculus[electronic resource] /
by:
(Language materials, printed)
Modeling nanoscale imaging in electron microscopy[electronic resource] /
by:
(Language materials, printed)
Perspectives in electronic structure theory[electronic resource] /
by:
(Language materials, printed)
An introduction to kinetic Monte Carlo simulations of surface reactions[electronic resource] /
by:
(Language materials, printed)
Recent progress in coupled cluster methods[electronic resource] :theory and applications /
by:
(Language materials, printed)
Quantum systems in chemistry and physics[electronic resource] :progress in methods and applications /
by:
(Language materials, printed)
Principles of soft-matter dynamics[electronic resource] :basic theories, non-invasive methods, mesoscopic aspects /
by:
(Language materials, printed)
Computational methods for physicists[electronic resource] :compendium for students /
by:
(Language materials, printed)
The Jahn-Teller effect[electronic resource] :fundamentals and implications for physics and chemistry /
by:
(Language materials, printed)
Complexity in chemistry and beyond: Interplay theory and experiment[electronic resource] :new and old aspects of complexity in modern research /
by:
(Language materials, printed)
Energy and entropy[electronic resource] :equilibrium to stationary states /
by:
(Language materials, printed)
Investigation of reactions involving pentacoordinate intermediates[electronic resource] :the mechanism of the Wittig reaction /
by:
(Language materials, printed)
Selectivity in the synthesis of cyclic sulfonamides[electronic resource] :application in the synthesis of natural products /
by:
(Language materials, printed)
Mathematics for physicists and engineers[electronic resource] :fundamentals and interactive study guide /
by:
(Language materials, printed)
Design and applications of nanomaterials for sensors[electronic resource] /
by:
(Language materials, printed)
Many-electron approaches in physics, chemistry and mathematics[electronic resource] :a multidisciplinary view /
by:
(Language materials, printed)
Specific intermolecular interactions of element-organic compounds[electronic resource] /
by:
(Language materials, printed)
Calculations on nonlinear optical properties for large systems[electronic resource] :the elongation method /
by:
(Language materials, printed)
The DV-X[alpha] molecular-orbital calculation method[electronic resource] /
by:
(Language materials, printed)
The chemistry of zirconacycles and 2,6-diazasemibullvalenes[electronic resource] :synthesis, structures, reactions, and applications in the synthesis of novel N-heterocycles /
by:
(Language materials, printed)
Modelling electroanalytical experiments by the integral equation method[electronic resource] /
by:
(Language materials, printed)
Single molecular machines and motors[electronic resource] :proceedings of the 1st International Symposium on Single Molecular Machines and Motors, Toulouse 19-20 June 2013 /
by:
(Language materials, printed)
Theoretical modeling of inorganic nanostructures[electronic resource] :symmetry and ab-initio calculations of nanolayers, nanotubes and nanowires /
by:
(Language materials, printed)
Multifaceted roles of crystallography in modern drug discovery[electronic resource] /
by:
(Language materials, printed)
High performance computing in science and engineering '14[electronic resource] :transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014 /
by:
(Language materials, printed)
Computational methods to study the structure and dynamics of biomolecules and biomolecular processes[electronic resource] :from bioinformatics to molecular quantum mechanics /
by:
(Language materials, printed)
Physical models of semiconductor quantum devices[electronic resource] /
by:
(Language materials, printed)
Marco Antonio Chaer Nascimento[electronic resource] :a festschrift from theoretical chemistry accounts /
by:
(Language materials, printed)
8th Congress on Electronic Structure: Principles and Applications (ESPA 2012)[electronic resource] :a conference selection from theoretical chemistry accounts /
by:
(Language materials, printed)
Theoretical chemistry in Belgium[electronic resource] :a topical collection from theoretical chemistry accounts /
by:
(Language materials, printed)
Modelling the dissociation dynamics and threshold photoelectron spectra of small halogenated molecules[electronic resource] /
by:
(Language materials, printed)
State-to-state dynamical research in the F+H2 reaction system[electronic resource] /
by:
(Language materials, printed)
A new-generation density functional[electronic resource] :towards chemical accuracy for chemistry of main group elements /
by:
(Language materials, printed)
Growth mechanisms and novel properties of silicon nanostructures from quantum-mechanical calculations[electronic resource] /
by:
(Language materials, printed)
Dielectric properties of isolated clusters[electronic resource] :beam deflection studies /
by:
(Language materials, printed)
Chemistry[electronic resource] :the key to our sustainable future /
by:
(Language materials, printed)
Development of new radical cascades and multi-component reactions[electronic resource] :application to the synthesis of nitrogen-containing heterocycles /
by:
(Language materials, printed)
Specific intermolecular interactions of nitrogenated and bioorganic compounds[electronic resource] /
by:
(Language materials, printed)
Optical spectroscopy and computational methods in biology and medicine[electronic resource] /
by:
(Language materials, printed)
Density functional theory in quantum chemistry[electronic resource] /
by:
(Language materials, printed)
Introduction to computational mass transfer[electronic resource] :with applications to chemical engineering /
by:
(Language materials, printed)
Scientific computing with MATLAB and Octave[electronic resource] /
by:
(Language materials, printed)
Chemical optimization algorithm for fuzzy controller design[electronic resource] /
by:
(Language materials, printed)
Transient changes in molecular geometries and how to model them[electronic resource] :simulating chemical reactions of metal complexes in solution to explore dynamics, solvation, coherence, and the link to experiment /
by:
(Language materials, printed)
Gregory S. Ezra[electronic resource] :a festschrift from theoretical chemistry accounts /
by:
(Language materials, printed)
Guosen Yan[electronic resource] :a festschrift from theoretical chemistry accounts /
by:
(Language materials, printed)
Molecular structures and structural dynamics of prion proteins and prions[electronic resource] :mechanism underlying the resistance to prion diseases /
by:
(Language materials, printed)
Quantum modeling of complex molecular systems[electronic resource] /
by:
(Language materials, printed)
Rare-earths and actinides in high energy spectroscopy[electronic resource] /
by:
(Language materials, printed)
9th Congress on Electronic Structure: Principles and Applications (ESPA 2014)[electronic resource] :a conference selection from theoretical chemistry accounts /
by:
(Language materials, printed)
Applications of topological methods in molecular chemistry[electronic resource] /
by:
(Language materials, printed)
Peter R. Surjan[electronic resource] :a festschrift from theoretical chemistry accounts /
by:
(Language materials, printed)
Practical aspects of computational chemistry IV[electronic resource] /
by:
(Language materials, printed)
Computational studies in organometallic chemistry[electronic resource] /
by:
(Language materials, printed)
Structure and modeling of complex petroleum mixtures[electronic resource] /
by:
(Language materials, printed)
Density-functional methods for excited states[electronic resource] /
by:
(Language materials, printed)
Bonding in electron-rich molecules[electronic resource] :qualitative valence-bond approach via increased-valence structures /
by:
(Language materials, printed)
Magnetic interactions in molecules and solids[electronic resource] /
by:
(Language materials, printed)
Isaiah shavitt[electronic resource] :a memorial festschrift from theoretical chemistry accounts /
by:
(Language materials, printed)
Complexity and control in quantum photonics[electronic resource] /
by:
(Language materials, printed)
Modification of magnetic properties of iron clusters by doping and adsorption[electronic resource] :from a few atoms to nanoclusters /
by:
(Language materials, printed)
On-surface synthesis[electronic resource] :proceedings of the International Workshop On-Surface Synthesis, Ecole des Houches, Les Houches 25-30 May 2014 /
by:
(Language materials, printed)
Quantum dynamics and laser control for photochemistry[electronic resource] /
by:
(Language materials, printed)
Control and prediction of solid-state of pharmaceuticals[electronic resource] :experimental and computational approaches /
by:
(Language materials, printed)
High performance computing in science and engineering'15[electronic resource] :transactions of the high performance computing center, stuttgart (HLRS) 2015 /
by:
(Language materials, printed)
The chemical bond II[electronic resource] :100 years old and getting stronger /
by:
(Electronic resources)
Analysis of samples of clinical and alimentary interest with paper-based devices[electronic resource] /
by:
(Electronic resources)
Distance, symmetry, and topology in carbon nanomaterials[electronic resource] /
by:
(Electronic resources)
Computational chemistry[electronic resource] :introduction to the theory and applications of molecular and quantum mechanics /
by:
(Electronic resources)
The chemical bond I[electronic resource] :100 years old and getting stronger /
by:
(Electronic resources)
Non-relativistic QED theory of the Van Der Waals dispersion interaction[electronic resource] /
by:
(Electronic resources)
From chemistry to consciousness[electronic resource] :the legacy of Hans Primas /
by:
(Electronic resources)
50 years of Structure and bonding - the anniversary volume[electronic resource] /
by:
(Electronic resources)
Stochasticity in processes[electronic resource] :fundamentals and applications to chemistry and biology /
by:
(Electronic resources)
Subjects