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Posts tagged Theoretical chemistry
[ E-book ] – density functional theory – John P. Perdew
Feb 11th

The material world of everyday experience, as studied by chemistry and condensed- matter physics, is built up from electrons and a few (or at most a few hundred) kinds of nuclei . The basic interaction is electrostatic or Coulombic: An electron at position r is attracted to a nucleus of charge Z at R by the potential energy .Z/|r . R|, a pair of electrons at r and r repel one another by the potential energy 1/|r . r|, and two nuclei at R and R repel one another as ZZ/|R . R|. More >
[ E-book ] – STRATEGIES AND APPLICATIONS IN QUANTUM CHEMISTRY
Dec 9th

Starting from pure academic knowledge, Quantum Chemistry has gained the rank of full partner in most chemical research carried out today, from organic chemistry to solid state chemistry, from biology to material sciences, from astrophysics to chemical engineering. More >


