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GENERALITIES, DEFINITIONS AND PRELIMINARY CLASSIFICATION

Gastone Gilli and Paola Gilli

in The Nature of the Hydrogen Bond: Outline of a Comprehensive Hydrogen Bond Theory

Published in print:
2009
Published Online:
September 2009
ISBN:
9780199558964
eISBN:
9780191720949
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199558964.003.0003
Subject:
Physics, Crystallography: Physics

The classical H-bond definitions by Latimer and Rodebush (1920), Pimentel (1960), and Vinogradov and Linnel (1971) are compared in the frame of the Coulson's VB formalism. The H-bond is eventually ... More


Quantum Chemistry qua Chemistry: Rules and More Rules

Kostas Gavroglu and Ana Simões

in Neither Physics nor Chemistry: A History of Quantum Chemistry

Published in print:
2011
Published Online:
August 2013
ISBN:
9780262016186
eISBN:
9780262298759
Item type:
chapter
Publisher:
The MIT Press
DOI:
10.7551/mitpress/9780262016186.003.0003
Subject:
History, History of Science, Technology, and Medicine

After Walter Heitler and Fritz London wrote their papers as well as tFriedrich Hund, a new approach emerged that was almost universally accepted in the field of chemistry. The leading figures in this ... More


The molecule: structure, size and shape

ANGELO GAVEZZOTTI

in Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids

Published in print:
2006
Published Online:
January 2010
ISBN:
9780198570806
eISBN:
9780191718779
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570806.003.0001
Subject:
Physics, Atomic, Laser, and Optical Physics

The relationships between atoms and molecules are mediated by the theory of chemical bonding. Atoms were forged in the extreme conditions that occurred at the cores of stars in the early stages of ... More


Intermolecular bonding

ANGELO GAVEZZOTTI

in Molecular Aggregation: Structure analysis and molecular simulation of crystals and liquids

Published in print:
2006
Published Online:
January 2010
ISBN:
9780198570806
eISBN:
9780191718779
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570806.003.0012
Subject:
Physics, Atomic, Laser, and Optical Physics

Two atoms are joined by a chemical bond when the pristine electron densities of both atoms are significantly perturbed by the approach. As a consequence, the energy of the system is lowered and a ... More


Quantum Chemistry qua Physics: The Promises and Deadlocks of Using First Principles

Kostas Gavroglu and Ana Simões

in Neither Physics nor Chemistry: A History of Quantum Chemistry

Published in print:
2011
Published Online:
August 2013
ISBN:
9780262016186
eISBN:
9780262298759
Item type:
chapter
Publisher:
The MIT Press
DOI:
10.7551/mitpress/9780262016186.003.0002
Subject:
History, History of Science, Technology, and Medicine

This chapter outlines the history of quantum chemistry and its relation to physics and chemistry. It begins with a discussion of the nature of chemical bonds within two essentially disparate ... More


ELECTRON DENSITY IN SUPERSPACE

Sander Van Smaalen

in Incommensurate Crystallography

Published in print:
2007
Published Online:
January 2008
ISBN:
9780198570820
eISBN:
9780191718762
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570820.003.0008
Subject:
Physics, Crystallography: Physics

This chapter considers the properties of the generalized electron density as it can be displayed in superspace. Fourier maps and difference Fourier maps allow the visual inspection of various ... More


Chemical Energy

E. C. Pielou

in The Energy of Nature

Published in print:
2001
Published Online:
February 2013
ISBN:
9780226668062
eISBN:
9780226668055
Item type:
chapter
Publisher:
University of Chicago Press
DOI:
10.7208/chicago/9780226668055.003.0010
Subject:
Biology, Natural History and Field Guides

Nearly every solid material on earth consists of chemical compounds, sometimes only one, sometimes several together. Solid substances composed of single elements uncombined with others are rarities; ... More


Basic Concepts of Artificial Chemistries

Wolfgang Banzhaf and Lidia Yamamoto

in Artificial Chemistries

Published in print:
2015
Published Online:
September 2016
ISBN:
9780262029438
eISBN:
9780262329460
Item type:
chapter
Publisher:
The MIT Press
DOI:
10.7551/mitpress/9780262029438.003.0002
Subject:
Public Health and Epidemiology, Public Health

This chapter covers some basic concepts that constitute the pillars of any artificial chemistry. Starting with principles of computational modeling and simulation, we then move on to some notions of ... More


Factors governing structure and stability of intermetallics

Walter Steurer and Julia Dshemuchadse

in Intermetallics: Structures, Properties, and Statistics

Published in print:
2016
Published Online:
September 2016
ISBN:
9780198714552
eISBN:
9780191782848
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198714552.003.0002
Subject:
Physics, Crystallography: Physics

Which factors are the most important ones for the stability of crystal structures of metallic elements and intermetallic phases? Why does an element or intermetallic compound adopt a particular ... More


The Energy of Nature

E. C. Pielou

Published in print:
2001
Published Online:
February 2013
ISBN:
9780226668062
eISBN:
9780226668055
Item type:
book
Publisher:
University of Chicago Press
DOI:
10.7208/chicago/9780226668055.001.0001
Subject:
Biology, Natural History and Field Guides

Energy is crucial for events of every kind, in this world or any other. Without energy, nothing would ever happen. Nothing would move and there would be no life. The sun wouldn't shine, winds ... More


From Atomic Orbitals to Molecular Orbitals and Chemical Bonds

Jochen Autschbach

in Quantum Theory for Chemical Applications: From Basic Concepts to Advanced Topics

Published in print:
2020
Published Online:
February 2021
ISBN:
9780190920807
eISBN:
9780197508350
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780190920807.003.0009
Subject:
Chemistry, Quantum and Theoretical Chemistry

It is shown how an aufbau principle for atoms arises from the Hartree-Fock (HF) treatment with increasing numbers of electrons. The Slater screening rules are introduced. The HF equations for general ... More


Bond Energies

José A. Martinho Simões and Manuel Minas da Piedade

in Molecular Energetics: Consensed-Phase Thermochemical Techniques

Published in print:
2008
Published Online:
November 2020
ISBN:
9780195133196
eISBN:
9780197561553
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195133196.003.0008
Subject:
Chemistry, Thermochemistry and Chemical Thermodynamics

Although standard enthalpies of formation provide information about the net stability of molecules and their transformations, they do not always indicate stability of individual bonds. This ... More


Historical Introduction

I. David Brown

in The Chemical Bond in Inorganic Chemistry

Published in print:
2016
Published Online:
November 2016
ISBN:
9780198742951
eISBN:
9780191802935
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198742951.003.0001
Subject:
Physics, Crystallography: Physics, Condensed Matter Physics / Materials

The concept of a chemical bond originated in the mid-nineteenth century (Sections 1.1 and 1.2), but developed further in the twentieth century with the discovery of X-ray diffraction (Sections 1.3 to ... More


“Laws” and “Theories” in Chemistry Do Not Obey the Rules

Maureen Christie and John R. Christie

in Of Minds and Molecules: New Philosophical Perspectives on Chemistry

Published in print:
2000
Published Online:
November 2020
ISBN:
9780195128345
eISBN:
9780197561416
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195128345.003.0009
Subject:
Chemistry, Theoretical Chemistry

Most philosophers’ discussions of issues relating to “laws of nature” and “scientific theories” have concentrated heavily on examples from classical physics. Newton’s laws of motion and of ... More


Applications of group theory

Mark Ladd

in Symmetry of Crystals and Molecules

Published in print:
2014
Published Online:
April 2014
ISBN:
9780199670888
eISBN:
9780191781124
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199670888.003.0008
Subject:
Physics, Crystallography: Physics

Applications to the structure and symmetry of molecules and ions are considered, in terms of both theoretical and experimental procedures. Symmetry adapted atomic orbital studies are applied to the ... More


Missing Elements: What Philosophers of Science Might Discover in Chemistry

Andrea Woody and Clark Glymour

in Of Minds and Molecules: New Philosophical Perspectives on Chemistry

Published in print:
2000
Published Online:
November 2020
ISBN:
9780195128345
eISBN:
9780197561416
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195128345.003.0008
Subject:
Chemistry, Theoretical Chemistry

In the late middle ages, chemistry was the science and technology closest to philosophy, the material realization of the method of analysis and synthesis. No longer. Contemporary philosophy is ... More


A Preliminary Remark: Water and Friends

Peter Atkins

in Title Pages

Published in print:
2011
Published Online:
November 2020
ISBN:
9780199695126
eISBN:
9780191918445
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780199695126.003.0004
Subject:
Chemistry, Physical Chemistry

Water is the most miraculous of fluids. As well as being ubiquitous on Earth and essential for life as we know it, it has remarkable properties which at first sight don’t seem to be consistent with ... More


Biopiracy: Th e Curse of the Nutmeg

Lars Öhrström

in The Last Alchemist in Paris: And other curious tales from chemistry

Published in print:
2013
Published Online:
November 2020
ISBN:
9780199661091
eISBN:
9780191916885
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780199661091.003.0008
Subject:
Chemistry, History of Chemistry

Governments and private donors often try to control public research by handing out very specific grants, expecting closely related output such as patents, new companies, and inventions in the ... More


From Dalton to the Discovery of the Periodic System

Eric Scerri

in Title Pages

Published in print:
2013
Published Online:
November 2020
ISBN:
9780195391312
eISBN:
9780197562758
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195391312.003.0006
Subject:
Chemistry, History of Chemistry

Our story begins, somewhat arbitrarily, in the English city of Manchester around the turn of the nineteenth century. There, a child prodigy by the name of John Dalton, at the tender age of fifteen ... More


How Symbolic and Iconic Languages Bridge the Two Worlds of the Chemist: A Case Study From Contemporary Bioorganic Chemistry

Emily R. Grosholz and Roald Hoffmann

in Of Minds and Molecules: New Philosophical Perspectives on Chemistry

Published in print:
2000
Published Online:
November 2020
ISBN:
9780195128345
eISBN:
9780197561416
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780195128345.003.0023
Subject:
Chemistry, Theoretical Chemistry

Chemists move habitually and with credible success—if sometimes unreflectively—between two worlds. One is the laboratory, with its macroscopic powders, crystals, solutions, and intractable sludge, ... More


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