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- A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)
- The First 150 Years of the Periodic Table of the Elements
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- Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler’s Method.
- The Calculation of the Lattice Energy: The Born-Haber Cycle
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Recent Posts
- A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)
- 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 Born-Haber Cycle
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- The calculation of the Madelung constant
- Il calcolo della entalpia reticolare: il ciclo di Born-Haber
- A personal tribute to the founder of MD simulation of biological molecules: Prof Herman J.C. Berendsen (1934-2019)
- Il calcolo delle cariche parziali atomiche
- The Calculation of the Lattice Energy: The Born-Haber 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: January 2018
Il calcolo delle cariche parziali atomiche
Le cariche parziali da usare nel campo di forze si ottengono generalmente da calcoli quantomeccanici. Nel caso di molecole rigide, il calcolo delle cariche è abbastanza semplice. Nel caso di molecole flessibili, occorre valutare quanto le diverse conformazioni influenzano la … Continue reading
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La Dinamica Molecolare: il Campo di Forze
Then from these forces, by other propositions which are also mathematical, I deduce the motions of the planets, the comets, the moon, and the sea. I wish we could derive the rest of the phenomena of Nature by the same … Continue reading
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La simulazione di Dinamica Molecolare
Lex. I. Corpus omne perseverare in statu suo quiescendi vel movendi uniformiter in directum, nili quatenus a viribus impressis cogitur statum illum mutare. Lex. II. Muationem motus proportionalem esse vi motrici impressae, et fieri fecundum lineam rectam qua vis illa … Continue reading
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Awk Programming II: Life in a Shell
The game of Life was invented in the ’70 by the prolific mathematician John H. Conway (see [5] for his biography). It becomes famous after Martin Gardner wrote about in his famous column in the Scientific American magazine [1,2].
Posted in Leonardo's Corner, Programming, Science Topics
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Molecular interactions and force fields
At quite uncertain times and places, The atoms left their heavenly path, And by fortuitous embraces, Engendered all that being hath. And though they seem to cling together, And form ‘associations’ here, Yet, soon or late, they burst their … Continue reading
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