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Complementary Bonding Analysis
  • Language: en
  • Pages: 402

Complementary Bonding Analysis

As chemical bonds are not observable, there are various theories and models for their description. This book presents a selection of conceptually very different and historically competing views on chemical bonding analysis from quantum chemistry and quantum crystallography. It not only explains the principles and theories behind the methods, but also provides practical examples of how to derive bonding descriptors with modern software and of how to interpret them.

Quantum Crystallography
  • Language: en
  • Pages: 216

Quantum Crystallography

Quantum Crystallography is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. The current book describes quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers DFT, Clinton equations, KEM and QTAIM methods and their applications in crystallographic studies.

21st Century Challenges in Chemical Crystallography II
  • Language: en
  • Pages: 240

21st Century Challenges in Chemical Crystallography II

This volume summarises recent developments and highlights new techniques which will define possible future directions for small molecule X-ray crystallography. It provides an insight into how specific aspects of crystallography are developing and shows how they may interact or integrate with other areas of science. The development of more sophisticated equipment and the massive rise in computing power has made it possible to solve the three-dimensional structure of an organic molecule within hours if not minutes. This successful trajectory has resulted in the ability to study ever more complex molecules and use smaller and smaller crystals. The structural parameters for over a million organi...

Directory
  • Language: en
  • Pages: 582

Directory

  • Type: Book
  • -
  • Published: 1896
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  • Publisher: Unknown

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Bay City City Directories
  • Language: en
  • Pages: 516

Bay City City Directories

  • Type: Book
  • -
  • Published: 1883
  • -
  • Publisher: Unknown

None

European Journal of Organic Chemistry
  • Language: en
  • Pages: 708

European Journal of Organic Chemistry

  • Type: Book
  • -
  • Published: 2007
  • -
  • Publisher: Unknown

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Proceedings of the ... General Convention
  • Language: en
  • Pages: 918

Proceedings of the ... General Convention

  • Type: Book
  • -
  • Published: 1935
  • -
  • Publisher: Unknown

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The Norseman
  • Language: en
  • Pages: 270

The Norseman

  • Type: Book
  • -
  • Published: 1973
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  • Publisher: Unknown

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Chemical Bonding
  • Language: en
  • Pages: 186

Chemical Bonding

Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materials The goal of this humorous primer entertaining to read is to truly serve but not repel the reader. Recent in-person and also virtual summer schools in Europe and Asia have demonstrated the need for such a primer, also to be used for self-training

Proceedings of the General Convention
  • Language: en
  • Pages: 880

Proceedings of the General Convention

  • Type: Book
  • -
  • Published: Unknown
  • -
  • Publisher: Unknown

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