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 A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (19342019)
 The First 150 Years of the Periodic Table of the Elements
 Retro programming nostalgia III: the MSX Microcomputer and the Orbit of the Planets in the Solar System
 Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler’s Method.
 The Calculation of the Lattice Energy: The BornHaber Cycle
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Recent Posts
 A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (19342019)
 The First 150 Years of the Periodic Table of the Elements
 Retro programming nostalgia III: the MSX Microcomputer and the Orbit of the Planets in the Solar System
 Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler’s Method.
 The Calculation of the Lattice Energy: The BornHaber Cycle
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 The calculation of the Madelung constant
 Il calcolo della entalpia reticolare: il ciclo di BornHaber
 A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (19342019)
 Il calcolo delle cariche parziali atomiche
 The Calculation of the Lattice Energy: The BornHaber Cycle
 Modeling Natural Pattens and Forms I: Sunflowers Florets and the Golden Ratio
 La simulazione di Dinamica Molecolare
 Physical Chemistry: The Simple Hückel Method
 Il calcolo della costante di Madelung
 Berechnung der Konstante von Madelung
Monthly Archives: October 2017
The lattice energy
The lattice energy is the energy necessary in order to decompose, at the temperature T=0 K, an ionic crystal in its fundamental atomic component by carrying them at a distance infinite.
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The calculation of the Madelung constant
The total Coulomb interaction energy of a crystal is given by the sum of the single pair interaction terms: for ions with charges qA and qB and distance rAB. The sum is extended to all pairs of ions present in … Continue reading
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