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Recent Posts
- Seminar Series: Molecular Dynamics Simulation of Biomolecules (Bremen 2004)
- Modelling Forms in Nature: Easter Chocolate Eggs 2021
- Retro programming nostalgia V: L’Equilibrio e la Titolazione Acido/Base (Parte II)
- Physical Chemistry: The Simple Hückel Method (Part III)
- Physical Chemistry: The Simple Hückel Method (Part II)
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Recent Posts
- Seminar Series: Molecular Dynamics Simulation of Biomolecules (Bremen 2004)
- Modelling Forms in Nature: Easter Chocolate Eggs 2021
- Retro programming nostalgia V: L’Equilibrio e la Titolazione Acido/Base (Parte II)
- Physical Chemistry: The Simple Hückel Method (Part III)
- Physical Chemistry: The Simple Hückel Method (Part II)
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June 2021 M T W T F S S 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 Top Posts & Pages
- Il calcolo della entalpia reticolare: il ciclo di Born-Haber
- The calculation of the Madelung constant
- Physical Chemistry: The Simple Hückel Method (Part I)
- Il calcolo della costante di Madelung
- Berechnung der Konstante von Madelung
- Numerical Integration of Differential Equations. Part I.: Katherine Goble and the Euler's Method.
- La simulazione di Dinamica Molecolare
- Il calcolo delle cariche parziali atomiche
- The Logistic Map and the Feigenbaum Constants: a Retro Programming Inspired Excursion
- Retro Programming Nostalgia: Commodore Amiga and Molecular Visualization
Category Archives: What is new
Seminar Series: Molecular Dynamics Simulation of Biomolecules (Bremen 2004)
In this new series of post, I will report the slides of some of the seminar/lessons that I have delivered in the past years. Some of the information are updated but still there are a wealth of useful information. In … Continue reading
Posted in Publications, Research, Science Topics, What is new
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Modelling Forms in Nature: Easter Chocolate Eggs 2021
This year, your Highness, we will be featuring square eggs.Peter Carl Fabergé The Easter Math Bunny is back again, and he is talking again of … eggs! Two years ago, I ended my blog with a question, “What about chocolate egg shapes?” It is … Continue reading
Posted in Leonardo's Corner, Science Topics, What is new
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Retro programming nostalgia V: L’Equilibrio e la Titolazione Acido/Base (Parte II)
Questo secondo articolo continua il mio personale viaggio retro-computazionale delle titolazioni acido/base. Nell’articolo precedente, ho mostrato come calcolare un equilibrio acido base per acidi e basi forti. In questo articolo, vengono descritte anche le subroutines per le titolazioni di acidi … Continue reading
Posted in Programming, Science Topics, What is new
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Physical Chemistry: The Simple Hückel Method (Part III)
In the previous article, we have learn how to set up the Hückel determinant for conjugated linear molecules based on the topology of the -bonds. In this third article, we will apply the method to cyclic molecules and will derive … Continue reading
Posted in Programming, Science Topics, What is new
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Physical Chemistry: The Simple Hückel Method (Part II)
In the previous article, we have learn how to set up the Hückel determinant for an aromatic molecule based on the topology of the pi-bonds. In this second part, we are going to learn how to calculate from the determinantal … Continue reading
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A Practical Introduction to the C Language for Computational Chemistry. Part 2
In the first part of this introduction to C language, we have learnt the basic of the C language by writing simple programs for the calculation of the non-bonded interaction between two particles at variable distances. Some solutions to the … Continue reading
Posted in Programming, Science Topics, What is new
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The Dandelion (Taraxacum Officinalis) and OpenCV
The dandelion’s pallid tubeAstonishes the grass,And winter instantly becomesAn Infinite Alas — The tube uplifts a signal BudAnd then a shouting Flower, —The Proclamation of the SunsThat septulture is o’er. – Emily Dickinson The yellow flowers and the delicate and … Continue reading
Posted in Leonardo's Corner, Programming, Science Topics, What is new
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Chimica Fisica: La Termodinamica, La Meravigliosa Cattedrale Della Scienza. Parte I.
Indipendentemente dai motivi del culto, le antiche cattedrali invitano ad un’ammirata contemplazione, ispirano rispetto e quiete. Anche il visitatore piu’ disinvolto non si esimere dal moderare la voce, non insiste in argomenti futili: delle navate, l’eco delle sue stesse parole … Continue reading
Posted in Science Topics, What is new
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Programming in Awk Language. LiStaLiA: Little Statistics Library in Awk. Part I.
In the following previous Awk programming articles The AWK Programming Language Awk Programming II: Life in a Shell Awk Programming III: the One-Dimensional Cellular Automaton I have given a short introduction to this very useful Unix program by also showing two example of … Continue reading
Posted in Programming, What is new
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