Search Results for Theoretical and Computational Chemistry.

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170 Results

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Modern density functional theory a tool for chemistry

Seminario, J. M.

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Theoretical and computational chemistry ;

Molecular dynamics from classical to quantum methods

Balbuena, Perla B.

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Theoretical and computational chemistry ;

Recent developments and applications of modern density functional theory

Seminario, J. M.

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Theoretical and computational chemistry ;

Relativistic electronic structure theory

Schwerdtfeger, Peter.

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Theoretical and computational chemistry ;

Molecular electrostatic potentials concepts and applications

Murray, J. S. (Jane S.)

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Theoretical and computational chemistry ;

Computational photochemistry

Olivucci, M. (Massimo)

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Theoretical and computational chemistry,

Molecular and nano electronics analysis, design and simulation

Seminario, J. M.

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Theoretical and computational chemistry ;

Computational materials science

Leszczynski, Jerzy, 1949-

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Theoretical and computational chemistry ;

Theoretical aspects of chemical reactivity

Toro-Labbâe, Alejandro.

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Theoretical and computational chemistry ;

Nanomaterials design and simulation

Balbuena, Perla B.

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Theoretical and computational chemistry,

Theoretical biochemistry - processes and proterties of biological systems

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Theoretical and computational chemistry ;

Energetic materials

Politzer, Peter, 1937-

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Theoretical and computational chemistry,

Theoretical organic chemistry

Pâarkâanyi, Cyril.

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Theoretical and computational chemistry ;

Energetic materials

Politzer, Peter, 1937-

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Theoretical and computational chemistry,

Valence bond theory

Cooper, D. L.

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Theoretical and computational chemistry ;

Computational molecular biology

Leszczynski, Jerzy, 1949-

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Theoretical and computational chemistry ;

Magnetic Interactions in Molecules and Solids

de Graaf, Coen. author.

https://doi.org/10.1007/978-3-319-22951-5

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Theoretical Chemistry and Computational Modelling,

Photochemistry A Modern Theoretical Perspective

Persico, Maurizio. author.

https://doi.org/10.1007/978-3-319-89972-5

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Theoretical Chemistry and Computational Modelling,

Chemical Reactions Basic Theory and Computing

Laganà, Antonio. author.

https://doi.org/10.1007/978-3-319-62356-6

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Theoretical Chemistry and Computational Modelling,

Pauling's legacy modern modelling of the chemical bond

Maksiâc, Z. B. (Zvonimir B.)

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Theoretical and computational chemistry ;

Applications of Topological Methods in Molecular Chemistry

Chauvin, Remi. editor.

https://doi.org/10.1007/978-3-319-29022-5

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Alıntı:

Theoretical and Computational Chemistry.

Complexity in Chemistry, Biology, and Ecology

Bonchev, Danail. editor.

http://dx.doi.org/10.1007/b136300

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Alıntı:

Theoretical and Computational Chemistry.

Modeling Electrochemical Energy Storage at the Atomic Scale

Korth, Martin. editor.

https://doi.org/10.1007/978-3-030-00593-1

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Alıntı:

Theoretical and Computational Chemistry.

Group 2 Mediated Dehydrocoupling

Liptrot, David J. author.

https://doi.org/10.1007/978-3-319-21036-0

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Alıntı:

Theoretical and Computational Chemistry.

An Introduction To Chemoinformatics

Leach, Andrew R. author.

http://dx.doi.org/10.1007/978-1-4020-6291-9

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Alıntı:

Theoretical and Computational Chemistry.

Analysis of Samples of Clinical and Alimentary Interest with Paper-based Devices

Witkowska Nery, Emilia. author.

https://doi.org/10.1007/978-3-319-28672-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Quantum Computational Chemistry Modelling and Calculation for Functional Materials

Onishi, Taku. author.

https://doi.org/10.1007/978-981-10-5933-9

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Theory of Sum Frequency Generation Spectroscopy

Morita, Akihiro. author.

https://doi.org/10.1007/978-981-13-1607-4

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Thermodynamics in Mineral Sciences An Introduction

Cemič, Ladislav. author.

http://dx.doi.org/10.1007/3-540-28808-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Atomistic Approaches in Modern Biology From Quantum Chemistry to Molecular Simulations

Reiher, Markus. editor.

http://dx.doi.org/10.1007/978-3-540-38085-6

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

The Augmented Spherical Wave Method A Comprehensive Treatment

Eyert, Volker. author.

http://dx.doi.org/10.1007/978-3-540-71007-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Conformation-Dependent Design of Sequences in Copolymers I

Khokhlov, Alexei R. editor.

http://dx.doi.org/10.1007/11569572

Format:

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Alıntı:

Theoretical and Computational Chemistry.

Multi-shell Polyhedral Clusters

Diudea, Mircea Vasile. author.

https://doi.org/10.1007/978-3-319-64123-2

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Alıntı:

Theoretical and Computational Chemistry.

Spin Dynamics in Radical Pairs

Lewis, Alan. author.

https://doi.org/10.1007/978-3-030-00686-0

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Alıntı:

Theoretical and Computational Chemistry.

Quantum Mechanics

Schwabl, Franz. author.

http://dx.doi.org/10.1007/978-3-540-71933-5

Format:

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Alıntı:

Theoretical and Computational Chemistry.

Conformation-Dependent Design of Sequences in Copolymers II

Khokhlov, Alexei R. editor.

http://dx.doi.org/10.1007/11570325

Format:

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Alıntı:

Theoretical and Computational Chemistry.

The Chemical Bond II 100 Years Old and Getting Stronger

Mingos, D. Michael P. editor.

https://doi.org/10.1007/978-3-319-33522-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computational Studies in Organometallic Chemistry

Macgregor, Stuart A. editor.

https://doi.org/10.1007/978-3-319-31638-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Distance, Symmetry, and Topology in Carbon Nanomaterials

Ashrafi, Ali Reza. editor.

https://doi.org/10.1007/978-3-319-31584-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

The Chemical Bond I 100 Years Old and Getting Stronger

Mingos, D. Michael P. editor.

https://doi.org/10.1007/978-3-319-33543-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Structural Chemistry Principles, Methods, and Case Studies

Putz, Mihai V. author.

https://doi.org/10.1007/978-3-319-55875-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Control and Prediction of Solid-State of Pharmaceuticals Experimental and Computational Approaches

Bhardwaj, Rajni Miglani. author.

https://doi.org/10.1007/978-3-319-27555-0

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Density-Functional Methods for Excited States

Ferré, Nicolas. editor.

https://doi.org/10.1007/978-3-319-22081-9

Format:

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Alıntı:

Theoretical and Computational Chemistry.

Magnetic Functions Beyond the Spin-Hamiltonian

Mingos, D. M. P. editor.

http://dx.doi.org/10.1007/b136753

Format:

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Alıntı:

Theoretical and Computational Chemistry.

Bonding in Electron-Rich Molecules Qualitative Valence-Bond Approach via Increased-Valence Structures

Harcourt, Richard D. author.

https://doi.org/10.1007/978-3-319-16676-6

Format:

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Alıntı:

Theoretical and Computational Chemistry.

Solving a 3D Structural Puzzle

Hoeck, Casper Rønn. author.

https://doi.org/10.1007/978-3-319-96172-9

Format:

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Alıntı:

Theoretical and Computational Chemistry.

Modeling Marvels Computational Anticipation of Novel Molecules

Lewars, Errol G. author.

http://dx.doi.org/10.1007/978-1-4020-6973-4

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

9th Congress on Electronic Structure: Principles and Applications (ESPA 2014) A Conference Selection from Theoretical Chemistry Accounts

Ruiz-Lopez, Manuel F. editor.

https://doi.org/10.1007/978-3-662-49221-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Isaiah Shavitt A Memorial Festschrift from Theoretical Chemistry Accounts

Shepard, Ron. editor.

https://doi.org/10.1007/978-3-662-48148-6

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Radioactivity Radionuclides Radiation Including the Universal Nuclide Chart on CD-ROM

Magill, Joseph. author.

http://dx.doi.org/10.1007/b138236

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Péter R. Surján A Festschrift from Theoretical Chemistry Accounts

Szabados, Ágnes. editor.

https://doi.org/10.1007/978-3-662-49825-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

The Quantum Gamble

Boeyens, Jan C. A. author.

https://doi.org/10.1007/978-3-319-41621-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Modification of Magnetic Properties of Iron Clusters by Doping and Adsorption From a Few Atoms to Nanoclusters

Gutsev, Gennady L. author.

https://doi.org/10.1007/978-3-319-27886-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Advanced Computing in Industrial Mathematics 11th Annual Meeting of the Bulgarian Section of SIAM December 20-22, 2016, Sofia, Bulgaria. Revised Selected Papers

Georgiev, Krassimir. editor.

https://doi.org/10.1007/978-3-319-65530-7

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Acoustic Cavitation and Bubble Dynamics

Yasui, Kyuichi. author.

https://doi.org/10.1007/978-3-319-68237-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Non-Relativistic QED Theory of the van der Waals Dispersion Interaction

Salam, Akbar. author.

https://doi.org/10.1007/978-3-319-45606-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Intermolecular Forces and Clusters I

Wales, D. J. editor.

http://dx.doi.org/10.1007/b101390

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Theoretical Aspects of Transition Metal Catalysis -/-

Frenking, Gernot. editor.

http://dx.doi.org/10.1007/b94252

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Intermolecular Forces and Clusters II

Wales, D. J. editor.

http://dx.doi.org/10.1007/b100423

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computational Chemistry Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Lewars, Errol G. author.

https://doi.org/10.1007/978-3-319-30916-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Advanced Quantum Mechanics

Schwabl, Franz. author.

http://dx.doi.org/10.1007/978-3-540-85062-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Frontiers in Quantum Systems in Chemistry and Physics

Wilson, Stephen. editor.

http://dx.doi.org/10.1007/978-1-4020-8707-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Advanced Quantum Mechanics

Schwabl, Franz. author.

http://dx.doi.org/10.1007/3-540-28528-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Practical Aspects of Computational Chemistry IV

Leszczynski, Jerzy. editor.

https://doi.org/10.1007/978-1-4899-7699-4

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Solvation Effects on Molecules and Biomolecules Computational Methods and Applications

Canuto, Sylvio. editor.

http://dx.doi.org/10.1007/978-1-4020-8270-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computational Materials System Design

Shin, Dongwon. editor.

https://doi.org/10.1007/978-3-319-68280-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Periodic Nanostructures

Diudea, Mircea V. editor.

http://dx.doi.org/10.1007/978-1-4020-6020-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Structure and Modeling of Complex Petroleum Mixtures

Xu, Chunming. editor.

https://doi.org/10.1007/978-3-319-32321-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Quantum Dynamical Semigroups and Applications

Alicki, Robert. author.

http://dx.doi.org/10.1007/3-540-70861-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computational Materials Science From Ab Initio to Monte Carlo Methods

Ohno, Kaoru. author.

https://doi.org/10.1007/978-3-662-56542-1

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Reactive Flows, Diffusion and Transport From Experiments via Mathematical Modeling to Numerical Simulation and Optimization Final Report of SFB (Collaborative Research Center) 359

Jäger, Willi. editor.

http://dx.doi.org/10.1007/978-3-540-28396-6

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computer Simulations of Liquid Crystals and Polymers Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers Erice, Italy 16–22 July 2003

Pasini, Paolo. editor.

http://dx.doi.org/10.1007/1-4020-2760-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Time-Dependent Density Functional Theory

Marques, Miguel A.L. editor.

http://dx.doi.org/10.1007/b11767107

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computational Chemistry and Molecular Modeling Principles and Applications

Ramachandran, K. I. author.

http://dx.doi.org/10.1007/978-3-540-77304-7

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Frontiers of Quantum Chemistry

Wójcik, Marek J. editor.

https://doi.org/10.1007/978-981-10-5651-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computational Studies of RNA and DNA

Šponer, J. editor.

http://dx.doi.org/10.1007/978-1-4020-4851-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

On-Surface Synthesis Proceedings of the International Workshop On-Surface Synthesis, École des Houches, Les Houches 25-30 May 2014

Gourdon, André. editor.

https://doi.org/10.1007/978-3-319-26600-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Digital Simulation in Electrochemistry

Britz, Dieter. author.

https://doi.org/10.1007/978-3-319-30292-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Handbook of Materials Modeling Methods

Yip, Sidney. editor.

http://dx.doi.org/10.1007/978-1-4020-3286-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Chemistry from First Principles

Boeyens, Jan C. A. author.

http://dx.doi.org/10.1007/978-1-4020-8546-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Quantum Dynamics of Complex Molecular Systems

Micha, David A. editor.

http://dx.doi.org/10.1007/978-3-540-34460-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Hydrogen Bonding—New Insights

Grabowski, Sławomir J. editor.

http://dx.doi.org/10.1007/978-1-4020-4853-1

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Mathematical Physical Chemistry Practical and Intuitive Methodology

Hotta, Shu. author.

https://doi.org/10.1007/978-981-10-7671-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

A Guide to Biomolecular Simulations

Becker, Oren M. author.

http://dx.doi.org/10.1007/1-4020-3587-X

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1

Ferrario, Mauro. editor.

http://dx.doi.org/10.1007/3-540-35273-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 2

Ferrario, Mauro. editor.

http://dx.doi.org/10.1007/3-540-35284-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Influence of Particle Beam Irradiation on the Structure and Properties of Graphene

Wu, Xin. author.

https://doi.org/10.1007/978-981-10-6457-9

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Structure and Reactivity of Metals in Zeolite Materials

Pérez Pariente, Joaquín. editor.

https://doi.org/10.1007/978-3-319-98905-1

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Electron Scattering From Atoms, Molecules, Nuclei, and Bulk Matter

Whelan, Colm T. editor.

http://dx.doi.org/10.1007/0-387-27567-3

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials

Antoine, Rodolphe. author.

https://doi.org/10.1007/978-3-319-64743-2

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Nanoinformatics

Tanaka, Isao. editor.

https://doi.org/10.1007/978-981-10-7617-6

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Scientific Computing with MATLAB and Octave Second Edition

Quarteroni, Alfio. author.

http://dx.doi.org/10.1007/3-540-32613-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

On-Surface Synthesis II Proceedings of the International Workshop On-Surface Synthesis, San Sebastián, 27-30 June 2016

de Oteyza, Dimas G. editor.

https://doi.org/10.1007/978-3-319-75810-7

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Models, Mysteries and Magic of Molecules

Boeyens, Jan C.A. editor.

http://dx.doi.org/10.1007/978-1-4020-5941-4

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Digital Simulation in Electrochemistry Third Completely Revised and Extended Edition With Supplementary Electronic Material

Britz, Dieter. author.

http://dx.doi.org/10.1007/b97996

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

High Performance Computing in Science and Engineering’ 05 Transactions of the High Performance Computing Center Stuttgart (HLRS) 2005

Nagel, Wolfgang E. editor.

http://dx.doi.org/10.1007/3-540-29064-8

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Atomic Structure Theory Lectures on Atomic Physics

Johnson, Walter R. author.

http://dx.doi.org/10.1007/978-3-540-68013-0

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Non-Linear Optical Properties of Matter From Molecules to Condensed Phases

Papadopoulos, Manthos G. editor.

http://dx.doi.org/10.1007/1-4020-4850-5

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Concepts, Methods and Applications of Quantum Systems in Chemistry and Physics Selected proceedings of QSCP-XXI (Vancouver, BC, Canada, July 2016)

Wang, Yan A. editor.

https://doi.org/10.1007/978-3-319-74582-4

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Carbohydrate-Based Interactions at the Molecular and the Cellular Level

Hudson, Kieran L. author.

https://doi.org/10.1007/978-3-319-77706-1

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

High Performance Computing in Science and Engineering `07 Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2007

Nagel, Wolfgang E. editor.

http://dx.doi.org/10.1007/978-3-540-74739-0

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Modeling Chemical Systems Using Cellular Automata A textbook and laboratory manual

Kier, Lemont B. author.

http://dx.doi.org/10.1007/1-4020-3690-6

Format:

Elektronik Kaynak

Alıntı:

Theoretical and Computational Chemistry.

Computer Algebra and Materials Physics A Practical Guidebook to Group Theoretical Computations in Materials Science

Kikuchi, Akihito. author.

https://doi.org/10.1007/978-3-319-94226-1

Format:

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Theoretical and Computational Chemistry.

High Performance Computing in Science and Engineering ’06 Transactions of the High Performance Computing Center Stuttgart (HLRS) 2006

Nagel, Wolfgang E. editor.

http://dx.doi.org/10.1007/978-3-540-36183-1

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Theoretical and Computational Chemistry.

Hybrid Methods of Molecular Modeling

Tchougréeff, Andrei L. author.

http://dx.doi.org/10.1007/978-1-4020-8189-7

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Theoretical and Computational Chemistry.

Polymer Analysis Polymer Theory

SpringerLink (Online service)

http://dx.doi.org/10.1007/b135558

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Theoretical and Computational Chemistry.

Quantum Dynamics and Laser Control for Photochemistry

Sala, Matthieu. author.

https://doi.org/10.1007/978-3-319-28979-3

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Theoretical and Computational Chemistry.

Radiation Induced Molecular Phenomena in Nucleic Acids A Comprehensive Theoretical and Experimental Analysis

Shukla, Manoj K. editor.

http://dx.doi.org/10.1007/978-1-4020-8184-2

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Theoretical and Computational Chemistry.

Topics in the Theory Of Chemical and Physical Systems Proceedings of the 10th European Workshop on Quantum systemsin chemistry and physics held at Carthage, Tunisia, in September 2005

Lahmar, Souad. editor.

http://dx.doi.org/10.1007/978-1-4020-5460-0

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Theoretical and Computational Chemistry.

Free Energy Calculations Theory and Applications in Chemistry and Biology

Chipot, Christophe. editor.

http://dx.doi.org/10.1007/978-3-540-38448-9

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Theoretical and Computational Chemistry.

Green-Function Theory of Chemisorption

Davison, Sydney George. author.

http://dx.doi.org/10.1007/1-4020-4405-4

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Theoretical and Computational Chemistry.

Many-Body Methods for Atoms, Molecules and Clusters

Schirmer, Jochen. author.

https://doi.org/10.1007/978-3-319-93602-4

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Theoretical and Computational Chemistry.

Theoretical and Quantum Mechanics Fundamentals for Chemists

Ivanov, Stefan. author.

http://dx.doi.org/10.1007/1-4020-3688-4

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Theoretical and Computational Chemistry.

Robust Numerical Methods for Singularly Perturbed Differential Equations Convection-Diffusion-Reaction and Flow Problems

Roos, Hans-Görg. author.

http://dx.doi.org/10.1007/978-3-540-34467-4

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Theoretical and Computational Chemistry.

Symmetry Theory in Molecular Physics with Mathematica A new kind of tutorial book

McClain, William. author.

http://dx.doi.org/10.1007/b13137

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Theoretical and Computational Chemistry.

Fluid Transport in Nanoporous Materials

Conner, Wm. Curtis. editor.

http://dx.doi.org/10.1007/1-4020-4382-1

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Theoretical and Computational Chemistry.

Surface Chemistry and Catalysis

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"Surface Chemistry and Catalysis" published in Catalysts aims to cover some of the recent advances in the

Molecular Orbital Calculations for Biological Systems.

Sapse, Anne-Marie.

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computational results and save significant amounts of laboratory time. This book teaches the use of quantum

Applied and Computational Statistics

Bolboac?, Sorana D.

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frames to practical applications such as genetics, computational chemistry, and experimental design. This

Highly Accurate Spectroscopic Parameters from Ab Initio Calculations The Interstellar Molecules l-C3H+ and C4

Stein, Christopher J. author.

https://doi.org/10.1007/978-3-658-14830-0

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Experimental and Theoretical Results for l C3H+ and C4 Theoretical Methods Results for l C3H+ Results for C4 in

Multiscale Modeling and Simulation of Shock Wave-Induced Failure in Materials Science

Steinhauser, Martin Oliver. author.

https://doi.org/10.1007/978-3-658-21134-9

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, materials science, computer science, polymer chemistry, theoretical chemistry, nanoscience Material

Computational Science and Its Applications - ICCSA 2006 International Conference, Glasgow, UK, May 8-11, 2006. Proceedings, Part II

Gavrilova, Marina L. editor.

http://dx.doi.org/10.1007/11751588

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technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma ematics, physics, and

Computational Science and Its Applications - ICCSA 2006 International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part III

Gavrilova, Marina. editor.

http://dx.doi.org/10.1007/11751595

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technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma ematics, physics, and

Computational Science and Its Applications – ICCSA 2005 International Conference, Singapore, May 9-12, 2005, Proceedings, Part IV

Gervasi, Osvaldo. editor.

http://dx.doi.org/10.1007/b136278

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nanotechnologies, to core disciplines such as ma ematics, physics, and chemistry. Due to the shear size of many

Computational Science and Its Applications – ICCSA 2005 International Conference, Singapore, May 9-12, 2005, Proceedings, Part I

Gervasi, Osvaldo. editor.

http://dx.doi.org/10.1007/b136266

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nanotechnologies, to core disciplines such as ma ematics, physics, and chemistry. Due to the shear size of many

Computational Science and Its Applications – ICCSA 2005 International Conference, Singapore, May 9-12, 2005, Proceedings, Part II

Gervasi, Osvaldo. editor.

http://dx.doi.org/10.1007/b136269

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nanotechnologies, to core disciplines such as ma ematics, physics, and chemistry. Due to the shear size of many

Computational Science and Its Applications – ICCSA 2018 18th International Conference, Melbourne, VIC, Australia, July 2-5, 2018, Proceedings, Part V

Gervasi, Osvaldo. editor. (orcid)0000-0003-4327-520X

https://doi.org/10.1007/978-3-319-95174-4

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Theoretical and Computational Chemistry and its Applications (TCCA 2018) Workshop Parallel and Distributed

DNA Computing and Molecular Programming 24th International Conference, DNA 24, Jinan, China, October 8–12, 2018, Proceedings

Doty, David. editor. (orcid)0000-0002-3922-172X

https://doi.org/10.1007/978-3-030-00030-1

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assembly of nanostructures; analysis and theoretical models of laboratory techniques; molecular motors and

Computational Science and Its Applications - ICCSA 2006 International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part IV

Gavrilova, Marina L. editor.

http://dx.doi.org/10.1007/11751632

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technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma ematics, physics, and

Computational Science and Its Applications - ICCSA 2006 International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part V

Gavrilova, Marina L. editor.

http://dx.doi.org/10.1007/11751649

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technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma ematics, physics, and

Computational Science and Its Applications – ICCSA 2005 International Conference, Singapore, May 9-12, 2005, Proceedings, Part III

Gervasi, Osvaldo. editor.

http://dx.doi.org/10.1007/b136271

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nanotechnologies, to core disciplines such as ma ematics, physics, and chemistry. Due to the shear size of many

The structure of complex networks theory and applications

Estrada, Ernesto, 1966-

EBSCOhost http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=439564

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chemistry, theoretical and computational biology, and social networks. Short Description The book integrates

Modelling molecular structure and reactivity in biological systems

World Congress of Theoretically Oriented Chemists (7th : 2005 : Cape Town, South Africa)

Table of contents only http://www.loc.gov/catdir/toc/fy0706/2007360596.html
http://ebook.rsc.org/?DOI=10.1039/9781847555373

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in the set and these are all sold as one entity. Computational and theoretical tools for

COSMO-RS from quantum chemistry to fluid phase thermodynamics and drug design

Klamt, Andreas.

ScienceDirect An electronic book accessible through the World Wide Web; click for information

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and industrial experts, COSMO RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design

Organophosphorus Chemistry 2018

Keglevich, György

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approaches and computational chemistry are also a strong sub discipline within organophosphorus chemistry.

Catalysis in Electrochemistry : From Fundamental Aspects to Strategies for Fuel Cell Development.

Santos, Elizabeth.

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. Computational Chemistry Applied to Reactions in Electrocatalysis 6. Catalysis of Electron Transfer at Metal

Computational Science and Its Applications - ICCSA 2006 International Conference, Glasgow, UK, May 8-11, 2006. Proceedings, Part I

Gavrilova, Marina. editor.

http://dx.doi.org/10.1007/11751540

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technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma ematics, physics, and

Molecular Dynamics Analyses of Prion Protein Structures The Resistance to Prion Diseases Down Under

Zhang, Jiapu. author.

https://doi.org/10.1007/978-981-10-8815-5

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chemistry, biomedicine, bioinformatics, cheminformatics, materials, applied mathematics and theoretical

Quantum Dynamics with Trajectories Introduction to Quantum Hydrodynamics

Wyatt, Robert E. author.

http://dx.doi.org/10.1007/0-387-28145-2

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useful to students and researchers in physics, chemistry, applied math, and computational dynamics. "This

Ionic Soft Matter: Modern Trends in Theory and Applications Proceedings of the NATO Advanced Research Workshop on Ionic Soft Matter: Modern Trends in Theory and Applications Lviv, Ukraine 14–17 April 2004

Henderson, Douglas. editor.

http://dx.doi.org/10.1007/1-4020-3659-0

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theoretical physical chemistry and chemical engineering. The substantial progress in material science during

Theory and applications of computational chemistry the first forty years

Dykstra, Clifford E.

ScienceDirect An electronic book accessible through the World Wide Web; click for information
Publisher description http://www.loc.gov/catdir/enhancements/fy0625/2005049899-d.html
Table of contents only http://www.loc.gov/catdir/enhancements/fy0625/2005049899-t.html

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enormous breadth of theoretical and computational chemistry today and establishes how theory and

Mathematical Challenges from Theoretical/Computational Chemistry.

Staff, National Research Council.

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IMPLICATIONS OF TOPOLOGICAL PHASES THEORETICAL AND COMPUTATIONAL CHEMISTRY IN SPACES OF NONINTEGER DIMENSION.

Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications

Sam P. de Visser

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of research questions in chemistry and related disciplines, and (ii) further push the accuracy

Origins Genesis, Evolution and Diversity of Life

Seckbach, Joseph. editor.

http://dx.doi.org/10.1007/1-4020-2522-X

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Amphiphilic Compounds Theoretical and Computational Approaches to the Study of the Origin of Life The

Chemistry at extreme conditions

Manaa, M. Riad.

ScienceDirect An electronic book accessible through the World Wide Web; click for information
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Table of contents only http://www.loc.gov/catdir/enhancements/fy0619/2004063300-t.html

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. Theoretical and Computational Studies of Energetic Salts. Chapter 16. Computational Determination of the

Recent Advances in the Theory of Chemical and Physical Systems

JULIEN, JEAN-PIERRE. editor.

http://dx.doi.org/10.1007/1-4020-4528-X

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chemistry, physical chemistry and chemical physics, particularly molecular physics, condensed matter, heavy

Theory and Practice of Natural Computing 7th International Conference, TPNC 2018, Dublin, Ireland, December 12–14, 2018, Proceedings

Fagan, David. editor. (orcid)0000-0002-5982-8983

https://doi.org/10.1007/978-3-030-04070-3

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contributions handle with artificial chemistry, artificial immune systems, artificial life, cellular automata

IUTAM Symposium on Hamiltonian Dynamics, Vortex Structures, Turbulence Proceedings of the IUTAM Symposium held in Moscow, 25–30 August, 2006

Borisov, Alexey V. editor.

http://dx.doi.org/10.1007/978-1-4020-6744-0

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Hamiltonian Dynamical Systems: Theory and Computational Realization for Theoretical Chemistry On

Computational Chemistry : Reviews of Current Trends, Vol. 6.

Leszczynski, Jerzy.

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of Car Parrinello Simulations in Physics Chemistry and Biology Abstract 1. Introduction 2

Computational Chemistry : Reviews of Current Trends, Vol. 10.

Leszczynski, Jerzy.

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: Theoretical Models for Intensities (P Cársky & R Curík); Theoretical Description of the Kinetics of Gas Phase

Spin States in Biochemistry and Inorganic Chemistry : Influence on Structure and Reactivity.

Swart, Marcel.

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Concluding Remarks References 7 Principles and Prospects of Spin States Reactivity in Chemistry and

Reviews in Computational Chemistry.

Lipkowitz, Kenneth B.

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Reviews in Computational Chemistry Contents 1. Determining the Glass Transition in Polymer

Computational Chemistry : Reviews Of Current Trends, Vol. 9.

Leszczynski , Jerzy.

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rapidly changing field of computational chemistry. Contents: Molecular Electronics with Gaussian98/03 (J J

SYMMETRY-ADAPTED BASIS SETS : AUTOMATIC GENERATION FOR PROBLEMS IN CHEMISTRY AND PHYSICS.

Avery, John Scales.

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In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial

Interatomic Bonding in Solids : Fundamentals, Simulation, Applications.

Levitin, Valim.

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physics and chemistry. The author shows the technique for construction of models and the computer

Theoretical and Computational Aspects of Magnetic Organic Molecules.

Datta, Sambhu N.

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Theoretical and computational front Photochromism An Exotic Phenomenon in Organic Chemistry

Nanodesign : Some Basic Questions.

Schommers, Wolfram.

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nanostructures Conclusion 2.1.11 Theoretical and Computational Methods General remarks The most

Organometallic Chemistry : Volume 28.

Armitage, D A.

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Experiments 2.2 Computational Chemistry 2.3 Spectroscopy of Molecular Complexes 3 New Compounds and

Organometallic Chemistry : Volume 29.

Timney, J A.

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Studies 5.1 Computational Studies 5.2 Spectroscopic Studies 5.3 Gas Phase Chemistry References

Green Energetic Materials.

Brinck, Tore.

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Green Energetic Materials 1.1 Introduction 1.2 Green Chemistry and Energetic Materials 1.3

Quantum Frontiers of Atoms and Molecules.

Putz, Mihai V.

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Abstract 1. Introduction 2. Theoretical Background and Computational Methods 2.1. The BSSE Problem

Mathematical and Computational Modeling : With Applications in Natural and Social Sciences, Engineering, and the Arts.

Melnik, Roderick.

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mathematics and mathematical modeling Original results on both fundamental theoretical and applied

Computational Methods In Sciences And Engineering, Proceedings Of The International Conference (iccmse 2003).

Simos, T. E.

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physics, computational and theoretical chemistry, computational biology, computational mechanics

Structure-Based Design of Drugs and Other Bioactive Molecules : Tools and Strategies.

Ghosh, Arun K.

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practicing researchers in mind. By way of a carefully balanced mix of theoretical background and case studies

Modeling of Molecular Properties.

Comba, Peter.

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scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an

SCIENCE AND TECHNOLOGY AGAINST MICROBIAL PATHOGENS : RESEARCH, DEVELOPMENT AND EVALUATION - PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ANTIMICROBIAL RESEARCH (ICAR2010).

Mendez-Vilas, A.

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microbes against microbial pathogens, not forgetting antimicrobial chemistry, physics and material science

Recent Advances in Density Functional Methods, Part III.

Barone, Vincenzo.

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, theoretical/quantum chemistry, computational physics, solid state chemistry and mathematical physics.

Graphene Chemistry : Theoretical Perspectives.

Jiang, De-en.

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, hydrogen storage, and catalysis Graphene Chemistry: Theoretical Perspectives provides a useful overview for

Contemporary Carbene Chemistry.

Moss, Robert A.

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reactions, and ultrafast kinetics of carbenes and their excited state precursors. Theoretical concerns are

Rate Constant Calculation for Thermal Reactions : Methods and Applications.

DaCosta, Herbert.

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Acknowledgments References 4. Activation Energies in Computational Chemistry A Case Study 4.1

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