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Recent Posts
- Modelling Forms in Nature: Easter Chocolate Eggs 2021
- Physical Chemistry: The Simple Hückel Method (Part III)
- Physical Chemistry: The Simple Hückel Method (Part II)
- A Practical Introduction to the C Language for Computational Chemistry. Part 3
- A Practical Introduction to the C Language for Computational Chemistry. Part 2
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Recent Posts
- Modelling Forms in Nature: Easter Chocolate Eggs 2021
- Physical Chemistry: The Simple Hückel Method (Part III)
- Physical Chemistry: The Simple Hückel Method (Part II)
- A Practical Introduction to the C Language for Computational Chemistry. Part 3
- A Practical Introduction to the C Language for Computational Chemistry. Part 2
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Top Posts & Pages
- The calculation of the Madelung constant
- Physical Chemistry: The Simple Hückel Method (Part I)
- Berechnung der Konstante von Madelung
- Il calcolo della entalpia reticolare: il ciclo di Born-Haber
- The Logistic Map and the Feigenbaum Constants: a Retro Programming Inspired Excursion
- The Calculation of the Lattice Energy: The Born-Haber Cycle
- Modelling Patterns and Forms in Nature II: (Easter) Eggs
- Retro Programming Nostalgia: Commodore Amiga and Molecular Visualization
- The Taylor Series
- Physical Chemistry. The Particle in a Box I: the Schrödinger Equation in One-dimension
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
Posted in Research, Science Topics
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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 (on the 11/4/2020 sadly J.H. Conway passed away at the age of 82 after having contracted the COVID-19, see [5] for his biography). The game … Continue reading
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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