2011, ISBN 9781439821275, x, 201

Book

01/2011, 2, ISBN 9048138612, 674

This is the first textbook on Computational Chemistry to genuinely cover the basics. This corrected second edition contains new material which includes solvent...

Chemistry | Mathematics | Numerical analysis | Theoretical and Computational Chemistry | Computer Applications in Chemistry | Organic Chemistry

Chemistry | Mathematics | Numerical analysis | Theoretical and Computational Chemistry | Computer Applications in Chemistry | Organic Chemistry

eBook

2006, Challenges and advances in computational chemistry and physics, ISBN 9781402048524, Volume 3., xx, 519

Links theoretical studies with experimental resultsCovers the most important recent aspects in H-bonding Includes numerous examples to allow a greater...

Hydrogen bonding | Physical organic chemistry | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | Crystallography | Math. Applications in Chemistry | Computer Applications in Chemistry

Hydrogen bonding | Physical organic chemistry | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | Crystallography | Math. Applications in Chemistry | Computer Applications in Chemistry

Book

2006, 1. Aufl., ISBN 354033968X, 404

Environmental Computing/Environmental Modelling - Short description currently not available.

Chemistry | Mathematical models | Differential equations, Partial | Environmental sciences | Environment | Biochemistry, general | Geochemistry | Math. Applications in Geosciences | Environmental Monitoring/Analysis | Math. Applications in Chemistry | Atmospheric Protection/Air Quality Control/Air Pollution | Partially ordered sets

Chemistry | Mathematical models | Differential equations, Partial | Environmental sciences | Environment | Biochemistry, general | Geochemistry | Math. Applications in Geosciences | Environmental Monitoring/Analysis | Math. Applications in Chemistry | Atmospheric Protection/Air Quality Control/Air Pollution | Partially ordered sets

eBook

Journal of Mathematical Chemistry, ISSN 0259-9791, 8/2018, Volume 56, Issue 7, pp. 1935 - 1957

We present a local as well a semilocal convergence analysis of secant-like methods under g eneral conditions in order to approximate a locally unique solution...

Consistent approximation | Fréchet–derivative | Divided difference | Banach space | Majorizing sequence | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | 65D10 | 65D99 | Secant method | 65G99 | 49M15 | 47H17 | Math. Applications in Chemistry | NEWTON-LIKE METHODS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | SEMILOCAL CONVERGENCE ANALYSIS | Frechet-derivative | CHEMISTRY, MULTIDISCIPLINARY | Sequences (Mathematics) | Convergence (Mathematics) | Research | Banach spaces | Mathematical research

Consistent approximation | Fréchet–derivative | Divided difference | Banach space | Majorizing sequence | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | 65D10 | 65D99 | Secant method | 65G99 | 49M15 | 47H17 | Math. Applications in Chemistry | NEWTON-LIKE METHODS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | SEMILOCAL CONVERGENCE ANALYSIS | Frechet-derivative | CHEMISTRY, MULTIDISCIPLINARY | Sequences (Mathematics) | Convergence (Mathematics) | Research | Banach spaces | Mathematical research

Journal Article

Journal of Mathematical Chemistry, ISSN 0259-9791, 8/2018, Volume 56, Issue 7, pp. 1958 - 1975

We present a new semilocal convergence analysis for Secant methods in order to approximate a locally unique solution of a nonlinear equation in a Banach space...

Semilocal convergence | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | Secant method | Divided difference | Banach space | Majorizing sequence | Local convergence | Math. Applications in Chemistry | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | CHEMISTRY, MULTIDISCIPLINARY | Sequences (Mathematics) | Convergence (Mathematics) | Research | Banach spaces | Mathematical research

Semilocal convergence | Theoretical and Computational Chemistry | Chemistry | Physical Chemistry | Secant method | Divided difference | Banach space | Majorizing sequence | Local convergence | Math. Applications in Chemistry | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | CHEMISTRY, MULTIDISCIPLINARY | Sequences (Mathematics) | Convergence (Mathematics) | Research | Banach spaces | Mathematical research

Journal Article

Journal of Mathematical Chemistry, ISSN 0259-9791, 4/2013, Volume 51, Issue 4, pp. 1135 - 1138

Journal Article

2007, Texts in computational science and engineering, ISBN 9783540680949, Volume 5, xi, 470

Book

2006, ISBN 9781402044045, xx, 211

There is no other text available that describes the crucial contribution of Green functions to the development of the theory of chemisorptionPedagogical...

Chemisorption | Green's functions | Chemistry | Theoretical and Computational Chemistry | Physical Chemistry | Catalysis | Industrial Chemistry/Chemical Engineering | Surfaces and Interfaces, Thin Films | Math. Applications in Chemistry

Chemisorption | Green's functions | Chemistry | Theoretical and Computational Chemistry | Physical Chemistry | Catalysis | Industrial Chemistry/Chemical Engineering | Surfaces and Interfaces, Thin Films | Math. Applications in Chemistry

Book

2006, ISBN 9781402042232, xxiii, 197

Simple formal methods that can be applied easily in different disciplinesSystematic methods to apply formal methods on different disciplinesPractical...

Formal methods (Computer science) | Industrial applications | Communication Studies | Chemistry | Appl.Mathematics/Computational Methods of Engineering | Models and Principles | Computational Science and Engineering | Math. Applications in Chemistry | Logics and Meanings of Programs | Mathematical Logic and Formal Languages

Formal methods (Computer science) | Industrial applications | Communication Studies | Chemistry | Appl.Mathematics/Computational Methods of Engineering | Models and Principles | Computational Science and Engineering | Math. Applications in Chemistry | Logics and Meanings of Programs | Mathematical Logic and Formal Languages

Book

2007, ISBN 9781402050008, xi, 295

Unique combination of theory and product overviewsColour Screenshots of major products from virtually all the major chemoinformatics suppliersWeb-based...

Cheminformatics | Mathematics | Data processing | Chemistry | Medicinal Chemistry | Molecular Medicine | Bioinformatics | Computer Applications in Chemistry | Organic Chemistry

Cheminformatics | Mathematics | Data processing | Chemistry | Medicinal Chemistry | Molecular Medicine | Bioinformatics | Computer Applications in Chemistry | Organic Chemistry

Book

12.
Full Text
Combinatorial multinomial generators for colorings of 4D-hypercubes and their applications

Journal of Mathematical Chemistry, ISSN 0259-9791, 10/2018, Volume 56, Issue 9, pp. 2707 - 2723

Combinatorial enumeration of colorings of vertices, edges, faces and cells of 4D-hypercubes are considered for all irreducible representations of the...

Combinatorial colorings | Theoretical and Computational Chemistry | Nuclear spin statistics | Chemistry | Physical Chemistry | Hypercube applications chemistry biology | Hypercubes | Math. Applications in Chemistry | Wreath products | GENERALIZED WREATH-PRODUCTS | CHARACTER TABLES | ALGEBRAIC METHODS | NMR-SPECTROSCOPY | SYMMETRY GROUPS | UNNATURAL BASE-PAIR | CHEMISTRY, MULTIDISCIPLINARY | NONRIGID MOLECULES | NUCLEAR-SPIN STATISTICS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | CHEMICAL PHYSICS | COMPUTER-GENERATION | Graph theory | Combinatorial enumeration problems | Research | Mathematical research | Group theory

Combinatorial colorings | Theoretical and Computational Chemistry | Nuclear spin statistics | Chemistry | Physical Chemistry | Hypercube applications chemistry biology | Hypercubes | Math. Applications in Chemistry | Wreath products | GENERALIZED WREATH-PRODUCTS | CHARACTER TABLES | ALGEBRAIC METHODS | NMR-SPECTROSCOPY | SYMMETRY GROUPS | UNNATURAL BASE-PAIR | CHEMISTRY, MULTIDISCIPLINARY | NONRIGID MOLECULES | NUCLEAR-SPIN STATISTICS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | CHEMICAL PHYSICS | COMPUTER-GENERATION | Graph theory | Combinatorial enumeration problems | Research | Mathematical research | Group theory

Journal Article

2005, 3rd completely rev. and extended ed., with supplementary electronic material., Lecture notes in physics, ISBN 3540239790, Volume 666., xiii, 338

This book is an extensive revision of the earlier 2nd Edition with the same title, of 1988. The book has been rewritten in, I hope, a much more did- tic...

Electrochemistry | Data processing | Theoretical and Computational Chemistry | Chemistry | Analytical Chemistry | Physical Chemistry | Numerical and Computational Methods in Engineering | Math. Applications in Chemistry | Systems and Information Theory in Engineering

Electrochemistry | Data processing | Theoretical and Computational Chemistry | Chemistry | Analytical Chemistry | Physical Chemistry | Numerical and Computational Methods in Engineering | Math. Applications in Chemistry | Systems and Information Theory in Engineering

Book

Journal of Mathematical Chemistry, ISSN 0259-9791, 5/2019, Volume 57, Issue 5, pp. 1282 - 1300

Based on the third-order Traub’s method, two iterative schemes with memory are introduced. The proper inclusion of accelerating parameters allows the...

Basin of attraction | Theoretical and Computational Chemistry | Chemistry | Nonlinear equation | Chemistry applications | Physical Chemistry | Iterative method with memory | Complex dynamics | Math. Applications in Chemistry | Derivative-free | ORDER | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | DYNAMICS | CONVERGENCE | CHEMISTRY, MULTIDISCIPLINARY | Convergence (Mathematics) | Research | Mathematical research | Iterative methods (Mathematics)

Basin of attraction | Theoretical and Computational Chemistry | Chemistry | Nonlinear equation | Chemistry applications | Physical Chemistry | Iterative method with memory | Complex dynamics | Math. Applications in Chemistry | Derivative-free | ORDER | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | DYNAMICS | CONVERGENCE | CHEMISTRY, MULTIDISCIPLINARY | Convergence (Mathematics) | Research | Mathematical research | Iterative methods (Mathematics)

Journal Article

2007, Modeling and simulation in science, engineering and technology, ISBN 9780817644895, xiii, 271

Book

2005, 3rd ed., ISBN 9780387253589, xii, 308

Book

1999, Texts in applied mathematics, ISBN 9780387984858, Volume 30., xviii, 442

Book