Theoretical and Computational Chemistry.

Magnetic Functions Beyond the Spin-Hamiltonian by: (Electronic resources)

Conformation-Dependent Design of Sequences in Copolymers I by: (Electronic resources)

Conformation-Dependent Design of Sequences in Copolymers.II by: (Electronic resources)

Hybrid Methods of Molecular Modeling by: (Electronic resources)

Advanced Quantum Mechanics by: (Electronic resources)

Chemistry from first principles by: (Language materials, printed)

Frontiers in quantum systems in chemistry and physics by: (Language materials, printed)

Numerical methods for singularly perturbed differential equationsconvection-diffusion and flow problems / by: (Language materials, printed)

Modeling marvelscomputational anticipation of novel molecules / by: (Language materials, printed)

High performance computing on vector systems 2008 by: (Electronic resources)

High performance computing in science and engineering '08transactions of the High Performance Computing Center, Stuttgart (HLRS) 2008 / by: (Electronic resources)

Multiscale modeling and simulation in science by: (Electronic resources)

Multi-scale quantum models for biocatalysismodern techniques and applications / by: (Electronic resources)

Self-organization of molecular systemsfrom molecules and clusters to nanotubes and proteins / by: (Electronic resources)

Silicon Versus Carbonfundamental nanoprocesses, nanobiotechnology and risks assessment / by: (Electronic resources)

Biophysics and the challenges of emerging threats by: (Electronic resources)

Compendium of quantum physicsconcepts, experiments, history, and philosophy / by: (Electronic resources)

Advances in the theory of atomic and molecular systemsConceptual and computational advances in quantum chemistry / by: (Electronic resources)

Advances in the theory of atomic and molecular systemsDynamics, spectroscopy, clusters, and nanostructures / by: (Electronic resources)

Adsorption and phase behaviour in nanochannels and nanotubes by: (Electronic resources)

Structure and function by: (Electronic resources)

Brillouin-Wigner methods for many-body systems by: (Electronic resources)

Recent advances in QSAR studiesmethods and applications / by: (Electronic resources)

Computational methods in chemical engineering with Maple by: (Electronic resources)

Scientific computing with MATLAB and Octave by: (Electronic resources)

Solvation effects on molecules and biomoleculescomputational methods and applications / by: (Electronic resources)

Scientific modeling and simulations by: (Electronic resources)

Relativistic methods for chemists by: (Electronic resources)

Trends in computational nanomechanicstranscending length and time scales / by: (Electronic resources)

High performance computing on vector systems 2009 by: (Electronic resources)

Solving ordinary differential equations IIstiff and differential-algebraic problems / by: (Electronic resources)

Stochastic energetics by: (Electronic resources)

Kinetics and dynamicsfrom nano- to bio-scale / by: (Electronic resources)

Computer-based modeling of novel carbon systems and their propertiesbeyond nanotubes / by: (Electronic resources)

High performance computing in science and engineering, Garching/Munich 2009transactions of the fourth joint HLRB and KONWIHR Review and Results Workshop, Dec. 8-9, 2009, Leibniz Supercomputing Centre, Garching/Munich, Germany / by: (Electronic resources)

Chemical cosmology by: (Electronic resources)

Computational physicssimulation of classical and quantum systems / by: (Electronic resources)

Structural bioinformatics of membrane proteins by: (Electronic resources)

Theoretical and experimental sonochemistry involving inorganic systems by: (Electronic resources)

Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics / by: (Electronic resources)

Multiscale and multiphysics computational frameworks for nano- and bio-systems by: (Electronic resources)

High performance computing in science and engineering '10transactions of the High Performance Computing Center, Stuttgart (HLRS) 2010 / by: (Electronic resources)

Entropies of condensed phases and complex systemsa first principles approach / by: (Electronic resources)

Biological functions for information and communication technologiestheory and inspiration / by: (Electronic resources)

Electronic and magnetic properties of chiral molecules and supramolecular architectures by: (Electronic resources)

Density functional theoryan advanced course / by: (Electronic resources)

Linear-scaling techniques in computational chemistry and physicsmethods and applications / by: (Electronic resources)

Computational studies of transition metal nanoalloys by: (Electronic resources)

Principles of evolutionfrom the Planck Epoch to complex multicellular life / by: (Electronic resources)

Emulsion-based free-radical retrograde-precipitation polymerization by: (Electronic resources)

Topics in theoretical and computational nanosciencefrom controlling light at the nanoscale to calculating quantum effects with classical electrodynamics / by: (Electronic resources)

Computational mechanisms of Au and Pt catalyzed reactions by: (Electronic resources)

Statistical complexityapplications in electronic structure / by: (Electronic resources)

The mathematics and topology of fullerenes by: (Electronic resources)

Multiscale molecular methods in applied chemistry by: (Electronic resources)

Vibronic interactions and the Jahn-Teller effecttheory and applications / by: (Electronic resources)

Advances in the theory of quantum systems in chemistry and physics by: (Electronic resources)

High performance computing on vector systems 2011 by: (Electronic resources)

Specific intermolecular interactions of organic compounds by: (Electronic resources)

Theory of charge transport in carbon electronic materials by: (Electronic resources)

Modern charge-density analysis by: (Electronic resources)

Handbook of computational chemistry by: (Electronic resources)

Practical aspects of computational chemistry Ian overview of the last two decades and current trends / by: (Electronic resources)

High performance computing in science and engineering '11transactions of the High Performance Computing Center, Stuttgart (HLRS) 2011 / by: (Electronic resources)

Fundamentals of time-dependent density functional theory by: (Electronic resources)

Computational organometallic chemistry by: (Electronic resources)

Steric effects in the chemisorption of vibrationally excited methane on nickel by: (Electronic resources)

Tensor spaces and numerical tensor calculus by: (Electronic resources)

Modeling nanoscale imaging in electron microscopy by: (Electronic resources)

Perspectives in electronic structure theory by: (Electronic resources)

Pathways to modern chemical physics by: (Electronic resources)

An introduction to kinetic Monte Carlo simulations of surface reactions by: (Electronic resources)

Self-assembly of flat organic molecules on metal surfacesa theoretical characterisation / by: (Electronic resources)

Practical aspects of computational chemistry IIan overview of the last two decades and current trends / by: (Electronic resources)

Quantum simulations of materials and biological systems by: (Electronic resources)

Models, mysteries, and magic of molecules by: (Electronic resources)

Recent progress in coupled cluster methodstheory and applications / by: (Electronic resources)

Quantum systems in chemistry and physicsprogress in methods and applications / by: (Electronic resources)

Principles of soft-matter dynamicsbasic theories, non-invasive methods, mesoscopic aspects / by: (Electronic resources)

Computational methods for physicistscompendium for students / by: (Electronic resources)

The Jahn-Teller effectfundamentals and implications for physics and chemistry / by: (Electronic resources)

Complexity in chemistry and beyond: Interplay theory and experimentnew and old aspects of complexity in modern research / by: (Electronic resources)

Energy and entropyequilibrium to stationary states / by: (Electronic resources)

Investigation of reactions involving pentacoordinate intermediatesthe mechanism of the Wittig reaction / by: (Electronic resources)

Computational methods to study the structure and dynamics of biomolecules and biomolecular processesfrom bioinformatics to molecular quantum mechanics / by: (Electronic resources)

Physical models of semiconductor quantum devices by: (Electronic resources)

Marco Antonio Chaer Nascimentoa festschrift from theoretical chemistry accounts / by: (Electronic resources)

8th Congress on Electronic Structure: Principles and Applications (ESPA 2012)a conference selection from theoretical chemistry accounts / by: (Electronic resources)

Theoretical chemistry in Belgiuma topical collection from theoretical chemistry accounts / by: (Electronic resources)

Modelling the dissociation dynamics and threshold photoelectron spectra of small halogenated molecules by: (Electronic resources)

State-to-state dynamical research in the F+H2 reaction system by: (Electronic resources)

A new-generation density functionaltowards chemical accuracy for chemistry of main group elements / by: (Electronic resources)

Growth mechanisms and novel properties of silicon nanostructures from quantum-mechanical calculations by: (Electronic resources)

Dielectric properties of isolated clustersbeam deflection studies / by: (Electronic resources)

Chemistrythe key to our sustainable future / by: (Electronic resources)

Development of new radical cascades and multi-component reactionsapplication to the synthesis of nitrogen-containing heterocycles / by: (Electronic resources)

Specific intermolecular interactions of nitrogenated and bioorganic compounds by: (Electronic resources)

Optical spectroscopy and computational methods in biology and medicine by: (Electronic resources)

Basic concepts in computational physics by: (Electronic resources)

Density functional theory in quantum chemistry by: (Electronic resources)

Introduction to computational mass transferwith applications to chemical engineering / by: (Electronic resources)

Scientific computing with MATLAB and Octave by: (Electronic resources)

Chemical optimization algorithm for fuzzy controller design by: (Electronic resources)

Practical aspects of computational chemistry III by: (Electronic resources)

Simulation studies of recombination kinetics and spin dynamics in radiation chemistry by: (Electronic resources)

Molecular quantum dynamicsfrom theory to applications / by: (Electronic resources)

Practical Chemoinformatics by: (Electronic resources)

Mathematics for physicists and engineersfundamentals and interactive study guide / by: (Electronic resources)

Design and applications of nanomaterials for sensors by: (Electronic resources)

Many-electron approaches in physics, chemistry and mathematicsa multidisciplinary view / by: (Electronic resources)

Selectivity in the synthesis of cyclic sulfonamidesapplication in the synthesis of natural products / by: (Electronic resources)

Gold clusters, colloids and nanoparticles I by: (Language materials, printed)

Non-linear optical response in atoms, molecules and clustersan explicit time dependent density functional approach / by: (Language materials, printed)

Electronic structure of quantum confined atoms and molecules by: (Language materials, printed)

Nonlinear hamiltonian mechanics applied to molecular dynamicstheory and computational methods for understanding molecular spectroscopy and chemical reactions / by: (Language materials, printed)

Gold clusters, colloids and nanoparticles II by: (Language materials, printed)

Applications of EPR in radiation research by: (Language materials, printed)

Protein modelling by: (Electronic resources)

Structure, bonding and reactivity of heterocyclic compounds by: (Electronic resources)

Application of computational techniques in pharmacy and medicine by: (Electronic resources)

Synergetics of molecular systems by: (Electronic resources)

Advance in structural bioinformatics by: (Electronic resources)

Specific intermolecular interactions of element-organic compounds by: (Electronic resources)

Calculations on nonlinear optical properties for large systemsthe elongation method / by: (Electronic resources)

The DV-X[alpha] molecular-orbital calculation method by: (Electronic resources)

The chemistry of zirconacycles and 2,6-diazasemibullvalenessynthesis, structures, reactions, and applications in the synthesis of novel N-heterocycles / by: (Electronic resources)

Modelling electroanalytical experiments by the integral equation method by: (Electronic resources)

Single molecular machines and motorsproceedings of the 1st International Symposium on Single Molecular Machines and Motors, Toulouse 19-20 June 2013 / by: (Electronic resources)

Theoretical modeling of inorganic nanostructuressymmetry and ab-initio calculations of nanolayers, nanotubes and nanowires / by: (Electronic resources)

Multifaceted roles of crystallography in modern drug discovery by: (Electronic resources)

High performance computing in science and engineering '14transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014 / by: (Electronic resources)

Exotic properties of carbon nanomatteradvances in physics and chemistry / by: (Electronic resources)

Noncovalent forces by: (Electronic resources)

Frontiers in quantum methods and applications in chemistry and physicsselected proceedings of QSCP-XVIII (Paraty, Brazil, December, 2013) / by: (Electronic resources)

A primer on QSAR/QSPR modelingfundamental concepts / by: (Electronic resources)

Density functionalsthermochemistry / by: (Electronic resources)

Thom H. Dunning, Jr.a festschrift from theoretical chemistry accounts / by: (Electronic resources)

Transient changes in molecular geometries and how to model themsimulating chemical reactions of metal complexes in solution to explore dynamics, solvation, coherence, and the link to experiment / by: (Electronic resources)

Gregory S. Ezraa festschrift from theoretical chemistry accounts / by: (Electronic resources)

Guosen Yana festschrift from theoretical chemistry accounts / by: (Electronic resources)

Molecular structures and structural dynamics of prion proteins and prionsmechanism underlying the resistance to prion diseases / by: (Electronic resources)

Statistical mechanics for engineers by: (Electronic resources)

Quantum modeling of complex molecular systems by: (Electronic resources)

Boronthe fifth element / by: (Electronic resources)

Rare-earths and actinides in high energy spectroscopy by: (Electronic resources)

Group 2 mediated dehydrocoupling by: (Electronic resources)

Density-functional methods for excited states by: (Electronic resources)

Bonding in electron-rich moleculesqualitative valence-bond approach via increased-valence structures / by: (Electronic resources)

Magnetic interactions in molecules and solids by: (Electronic resources)

Isaiah shavitta memorial festschrift from theoretical chemistry accounts / by: (Electronic resources)

Complexity and control in quantum photonics by: (Electronic resources)

Modification of magnetic properties of iron clusters by doping and adsorptionfrom a few atoms to nanoclusters / by: (Electronic resources)

On-surface synthesisproceedings of the International Workshop On-Surface Synthesis, Ecole des Houches, Les Houches 25-30 May 2014 / by: (Electronic resources)

Quantum dynamics and laser control for photochemistry by: (Electronic resources)

Control and prediction of solid-state of pharmaceuticalsexperimental and computational approaches / by: (Electronic resources)

High performance computing in science and engineering'15transactions of the high performance computing center, stuttgart (HLRS) 2015 / by: (Electronic resources)

9th Congress on Electronic Structure: Principles and Applications (ESPA 2014)a conference selection from theoretical chemistry accounts / by: (Electronic resources)

Basic concepts in computational physics by: (Electronic resources)

Applications of topological methods in molecular chemistry by: (Electronic resources)

Peter R. Surjana festschrift from theoretical chemistry accounts / by: (Electronic resources)

Practical aspects of computational chemistry IV by: (Electronic resources)

Digital simulation in electrochemistry by: (Electronic resources)

Computational studies in organometallic chemistry by: (Electronic resources)

Structure and modeling of complex petroleum mixtures by: (Electronic resources)

Probability for physicists by: (Electronic resources)

The chemical bond II100 years old and getting stronger / by: (Electronic resources)

Analysis of samples of clinical and alimentary interest with paper-based devices by: (Electronic resources)

Distance, symmetry, and topology in carbon nanomaterials by: (Electronic resources)

The quantum gamble by: (Electronic resources)

Computational chemistryintroduction to the theory and applications of molecular and quantum mechanics / by: (Electronic resources)

The chemical bond I100 years old and getting stronger / by: (Electronic resources)

Non-relativistic QED theory of the Van Der Waals dispersion interaction by: (Electronic resources)

From chemistry to consciousnessthe legacy of Hans Primas / by: (Electronic resources)

50 years of Structure and bonding - the anniversary volume by: (Electronic resources)

Stochasticity in processesfundamentals and applications to chemistry and biology / by: (Electronic resources)

High performance computing in science and engineering '16transactions of the High Performance Computing Center, Stuttgart (HLRS) 2016 / by: (Electronic resources)

Nanoscale fluid transportfrom molecular signatures to applications / by: (Electronic resources)

Introduction to computational mass transferwith applications to chemical engineering / by: (Electronic resources)

The notion of activity in chemistry by: (Electronic resources)

Interaction-induced electric properties of van der Waals complexes by: (Electronic resources)

Problems in classical and quantum mechanicsextracting the underlying concepts / by: (Electronic resources)

Theoretical modeling of vibrational spectra in the liquid phase by: (Electronic resources)

Quantum chemical approach for organic ferromagnetic material design by: (Electronic resources)

New carbon-carbon coupling reactions based on decarboxylation and iron-catalyzed C-H activation by: (Electronic resources)

Handbook of computational chemistry.Volume 2 by: (Electronic resources)

Catalytic and process study of the selective hydrogenation of acetylene and 1,3-butadiene by: (Electronic resources)

Clustersstructure, bonding and reactivity / by: (Electronic resources)

New aspects of quantum electrodynamics by: (Electronic resources)

Advanced computing in industrial mathematicsrevised selected papers of the 10th Annual Meeting of the Bulgarian Section of SIAM December 21-22, 2015, Sofia, Bulgaria / by: (Electronic resources)

The chemical bond III100 years old and getting stronger / by: (Electronic resources)

Handbook of relativistic quantum chemistry by: (Electronic resources)

Correlations in condensed matter under extreme conditionsa tribute to Renato Pucci on the occasion of his 70th birthday / by: (Electronic resources)

Quantum systems in physics, chemistry, and biologyadvances in concepts and applications / by: (Electronic resources)

Advances in QSAR modelingapplications in pharmaceutical, chemical, food, agricultural and environmental sciences / by: (Electronic resources)

Multiscale modeling of complex molecular structure and dynamics with MBN explorer by: (Electronic resources)

Mechanistic studies on transition metal-catalyzed C-H activation reactions using combined mass spectrometry and theoretical methods by: (Electronic resources)

Applications of quantum dynamics in chemistry by: (Electronic resources)

Computational physicssimulation of classical and quantum systems / by: (Electronic resources)

Energetic materialsfrom cradle to grave / by: (Electronic resources)

Quantum computational chemistrymodelling and calculation for functional materials / by: (Electronic resources)

Multi-shell polyhedral clusters by: (Electronic resources)

Liganded silver and gold quantum clusterstowards a new class of nonlinear optical nanomaterials / by: (Electronic resources)

Acoustic cavitation and bubble dynamics by: (Electronic resources)

Influence of particle beam irradiation on the structure and properties of graphene by: (Electronic resources)

Advanced computing in industrial mathematics11th Annual Meeting of the Bulgarian Section of SIAM December 20-22, 2016, Sofia, Bulgaria : revised selected papers / by: (Electronic resources)

Computational materials system design by: (Electronic resources)

Frontiers of quantum chemistry by: (Electronic resources)

Nanoinformatics by: (Electronic resources)

Mathematical physical chemistrypractical and intuitive methodology / by: (Electronic resources)

Chemical reactionsbasic theory and computing / by: (Electronic resources)

High performance computing in science and engineering ' 17transactions of the High Performance Computing Center, Stuttgart (HLRS) 2017 / by: (Electronic resources)

On-surface synthesis IIproceedings of the International Workshop On-Surface Synthesis, San Sebastian, 27-30 June 2016 / by: (Electronic resources)

Structural chemistryprinciples, methods, and case studies / by: (Electronic resources)

Many-body approaches at different scalesa tribute to Norman H. March on the occasion of his 90th birthday / by: (Electronic resources)

Advanced undergraduate quantum mechanicsmethods and applications / by: (Electronic resources)

Theoretical femtosecond physicsatoms and molecules in strong laser fields / by: (Electronic resources)

Computational materials sciencefrom Ab Initio to Monte Carlo methods / by: (Electronic resources)

Photochemistrya modern theoretical perspective / by: (Electronic resources)

Concepts, methods and applications of quantum systems in chemistry and physicsselected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016) / by: (Electronic resources)

Carbohydrate-based interactions at the molecular and the cellular level by: (Electronic resources)

Computer algebra and materials physicsa practical guidebook to group theoretical computations in materials science / by: (Electronic resources)

Computational methods in physicscompendium for students / by: (Electronic resources)

Theory of sum frequency generation spectroscopy by: (Electronic resources)

Unconventional computinga volume in the Encyclopedia of complexity and systems science, second edition / by: (Electronic resources)

Spin dynamics in radical pairs by: (Electronic resources)

Structure and reactivity of metals in zeolite materials by: (Electronic resources)

Topological matterLectures from the Topological Matter School 2017 / by: (Electronic resources)

Many-body methods for atoms, molecules and clusters by: (Electronic resources)

Solving a 3D structural puzzle by: (Electronic resources)

An epistemic foundation for scientific realismdefending realism without inference to the best explanation / by: (Electronic resources)

The swings of sciencefrom complexity to simplicity and back / by: (Electronic resources)

Modeling electrochemical energy storage at the atomic scale by: (Electronic resources)

Advances in design, simulation and manufacturingproceedings of the International Conference on Design, Simulation, Manufacturing: The Innovation Exchange, DSMIE-2018, June 12-15, 2018, Sumy, Ukraine / by: (Electronic resources)

Molecular spectroscopyexperiment and theory : from molecules to functional materials / by: (Electronic resources)

Flash Ccomputation and EoS modelling for compositional thermal simulation of flow in porous media by: (Electronic resources)

Computational approaches for chemistry under extreme conditions by: (Electronic resources)

Transition metals in coordination environmentscomputational chemistry and catalysis viewpoints / by: (Electronic resources)

The structure dependent energy of organic compounds by: (Electronic resources)

Energy transfer processes in polynuclear lanthanide complexes by: (Electronic resources)

Computational methods to study the structure and dynamics of biomolecules and biomolecular processesfrom bioinformatics to molecular quantum mechanics / by: (Electronic resources)

Advances in computational toxicologymethodologies and applications in regulatory science / by: (Electronic resources)

High performance computing in science and engineering '18transactions of the High Performance Computing Center, Stuttgart (HLRS) 2018 / by: (Electronic resources)

DNA systems under internal and external forcingan exploration using coarse-grained modelling / by: (Electronic resources)

Organometallic magnets by: (Electronic resources)

Tensor spaces and numerical tensor calculus by: (Electronic resources)

Mathematical physical chemistrypractical and intuitive methodology / by: (Electronic resources)

Molecular dynamics simulations in statistical physicstheory and applications / by: (Electronic resources)

Handbook of materials modelingmethods: theory and modeling / by: (Electronic resources)

Handbook of materials modelingapplications : current and emerging materials / by: (Electronic resources)

Conical intersections in physicsan introduction to synthetic gauge theories / by: (Electronic resources)

Solid-state electrochemistryessential course notes and solved exercises / by: (Electronic resources)

Advances in quantum systems in chemistry, physics, and biologyselected proceedings of QSCP-XXIII (Kruger Park, South Africa, September 2018) / by: (Electronic resources)

Theoretical chemistry for advanced nanomaterialsfunctional analysis by computation and experiment / by: (Electronic resources)

Theory and simulation in physics for materials applicationscutting-edge techniques in theoretical and computational materials science / by: (Electronic resources)

Molecular simulation on cement-based materialsfrom theory to application / by: (Electronic resources)

Machine learning meets quantum physics by: (Electronic resources)

Theoretical modeling of inorganic nanostructuressymmetry and ab initio calculations of nanolayers, nanotubes and nanowires / by: (Electronic resources)

Computer meets theoretical physicsthe new frontier of molecular simulation / by: (Electronic resources)

Time-resolved photoionisation studies of polyatomic moleculesexploring the concept of dynamophores / by: (Electronic resources)

Polarizable embedding for the algebraic-diagrammatic construction schemeinvestigating photoexcitations in large biomolecular systems / by: (Electronic resources)

Hydrogen and hydrogen-containing molecules on murfacestowards the realization of sustainable hydrogen economy / by: (Electronic resources)

Theoretical chemistry for experimental chemistspragmatics and fundamentals / by: (Electronic resources)

Atomic-scale insights into emergent photovoltaic absorbers by: (Electronic resources)

Imaging light with photoelectrons on the nano-femto scale by: (Electronic resources)

Chemistry in actionmaking molecular movies with ultrafast electron diffraction and data science / by: (Electronic resources)

Novel Coronavirus 2019in-silco vaccine design and drug discovery / by: (Electronic resources)

Methods in statistical mechanicsa modern view / by: (Electronic resources)

Photoinduced molecular dynamics in solutionmultiscale modelling and the link to ultrafast experiments / by: (Electronic resources)

Chemical physics of molecular condensed matter by: (Electronic resources)

Direct hydroxylation of methaneinterplay between theory and experiment / by: (Electronic resources)

Global atmospheric phenomena involving waterwater circulation, atmospheric electricity, and the greenhouse effect / by: (Electronic resources)

Application of project management principles to the management of pharmaceutical R&D projects by: (Electronic resources)

The science and business of drug discoverydemystifying the jargon / by: (Electronic resources)

An introduction to cold and ultracold chemistryatoms, molecules, ions and Rydbergs / by: (Electronic resources)

New directions in the modeling of organometallic reactions by: (Electronic resources)

Mechanochemical processes in energetic materialsa computational and experimental investigation / by: (Electronic resources)

21st century challenges in chemical crystallography.I,History and technical developments by: (Electronic resources)

21st century challenges in chemical crystallography.II,Structural correlations and data interpretation by: (Electronic resources)

Lectures in classical thermodynamics with an introduction to statistical mechanics by: (Electronic resources)

QM/MM studies of light-responsive biological systems by: (Electronic resources)

Frustrated Lewis pairs by: (Electronic resources)

Elements of nonequilibrium statistical mechanics by: (Electronic resources)

Recent advances of the fragment molecular orbital methodenhanced performance and applicability / by: (Electronic resources)

Computational materials, chemistry, and biochemistryfrom bold initiatives to the last mile : in honor of William A. Goddard's contributions to science and engineering.Volume 2 / by: (Electronic resources)

Nuclear chemistry by: (Electronic resources)

Melanin chemistry explored by quantum mechanicsinvestigations for mechanism identification and reaction design / by: (Electronic resources)

Enhanced chitosan material for water treatmentapplications of multi-functional chitosan derivative / by: (Electronic resources)

Memory functions, projection operators, and the defect techniquesome tools of the trade for the condensed matter physicist / by: (Electronic resources)

Basis sets in computational chemistry by: (Electronic resources)

Development of solar cellstheory and experiment / by: (Electronic resources)

High performance computing in science and engineering '19transactions of the High Performance Computing Center, Stuttgart (HLRS) 2019 / by: (Electronic resources)

Foundations of molecular modeling and simulationselect papers from FOMMS 2018 / by: (Electronic resources)

Multiple action-based design approaches to antibacterials by: (Electronic resources)

Protein instability at interfaces during drug product developmentfundamental understanding, evaluation, and mitigation / by: (Electronic resources)

Computational advances of Rh-catalyzed C-H functionalizationfrom elementary reaction to mechanism / by: (Electronic resources)

Vibronic coupling densityunderstanding molecular deformation / by: (Electronic resources)

Advances in methods and applications of quantum systems in chemistry, physics, and biology by: (Electronic resources)

Advances in bioinformatics by: (Electronic resources)

Morphology and dynamics of bottlebrush polymers by: (Electronic resources)

Quantum dot photodetectors by: (Electronic resources)

Biological waterphysicochemical aspects / by: (Electronic resources)

Materials interaction with femtosecond laserstheory and ultra-large-scale simulations of thermal and nonthermal pheomena / by: (Electronic resources)

Molecular basics of liquids and liquid-based materials by: (Electronic resources)

Statistical mechanics of neural networks by: (Electronic resources)

Practical aspects of computational chemistry V by: (Electronic resources)

Molecular dynamics and complexity in catalysis and biocatalysis by: (Electronic resources)

Thermodynamic equilibrium and stability of materials by: (Electronic resources)