Theoretical Chemistry

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General Information

Acronyms used in Theoretical Chemistry
A glossary. IUPAC, USA - [e]

Mathematical Challenges from Theoretical/Computational Chemistry
A Report, 1995. National Academy of Sciences, USA - [e]

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Lecture Notes, Tutorials

Hartree-Fock Approximation and Beyond
Lecture notes: Masters course in theoretical chemistry. University of Iceland - [e]

Realistic Systems I
Lecture notes - Format: PDF - [e]

Realistic Systems III
Lecture notes - Format: PDF - [e]

Theoretical Chemistry
An introduction. Theoretical Chemistry, USA - Format: PDF - [e]

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Special Information

Lanthanide and actinide theoretical chemistry
From atomic clusters to condensed phase - Format: PDF - [e]

Relativistic Energy-consistent Ab Initio Pseudopotentials
New Developments for Actinides - Format: PDF - [e]

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Journals

Electronic Journal of Theoretical Chemistry
Electronic Journal of Theoretical Chemistry has ceased publication and is no longer available for sale. Wiley Interscience - [e]

Journal of Mathematical Chemistry
JOMC publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Springer - [e]

Journal of Theoretical and Computational Chemistry
JTCC is an international interdisciplinary journal, aimed at providing comprehensive coverage on the latest developments of research in the ever-expanding area of theoretical and computational chemistry and their applications to broad scientific fields spanning physics, chemistry, biology, materials, and so on - [e]

THEOCHEM
... publishes research related to the broad area of theoretical and computational investigation of molecular systems, including problems of molecular structure, properties, energetics, reactions, interactions, and dynamics. Elsevier - [e]

Theoretical Chemistry Accounts
TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Springer - [e]

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Research facilities and departments

Vienna
Institute for Theoretical Chemistry and Structural Biology. University of Vienna, Austria - [e]

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Organisations

CECAM
European Centre for Atomic and Molecular Computations - [e]

WATOC
The World Association of Theoretical and Computational Chemists - [e]

Other notes:

Related Books and Scientific Literature: Theoretical Chemistry:

Bernd M. Rode, Thomas Hofer, Michael Kugler

The Basics of Theoretical and Computational Chemistry

This textbook does away with the classic, unimaginative approach and comes straight to the point with a bare minimum of mathematics - emphasizing the understanding of concepts rather than presenting endless strings of formulae. It nonetheless covers all important aspects of computational chemistry, such as: vector space theory; quantum mechanics; approximation methods; theoretical models; and computational methods. Throughout the chapters, mathematics are differentiated by necessity for understanding - fundamental formulae, and all the others. All formulae are explained step by step without omission, but the non-vital ones are marked and can be skipped by those who do not relish complex mathematics.The reader will find the text a lucid and innovative introduction to theoretical and computational chemistry, with food for thought given at the end of each chapter in the shape of several questions that help develop understanding of the concepts. What the reader will not find in this book are condescending sentences such as, 'From (formula A) and (formula M) it is obvious that (formula Z).'

Wiley-VCH; 2007