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Recent Posts
- Physical Chemistry: The Simple Hückel Method (Part II)
- A Practical Introduction to the C Language for Computational Chemistry. Part 2
- The Dandelion (Taraxacum Officinalis) and OpenCV
- Chimica Fisica: La Termodinamica, La Meravigliosa Cattedrale Della Scienza. Parte I.
- Programming in Awk Language. LiStLA: Little Statistics Library in Awk. Part I.
- Follow Danilo Roccatano on WordPress.com
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Recent Posts
- Physical Chemistry: The Simple Hückel Method (Part II)
- A Practical Introduction to the C Language for Computational Chemistry. Part 2
- The Dandelion (Taraxacum Officinalis) and OpenCV
- Chimica Fisica: La Termodinamica, La Meravigliosa Cattedrale Della Scienza. Parte I.
- Programming in Awk Language. LiStLA: Little Statistics Library in Awk. Part I.
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November 2020 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
- The calculation of the Madelung constant
- Il calcolo della entalpia reticolare: il ciclo di Born-Haber
- The Calculation of the Lattice Energy: The Born-Haber Cycle
- La simulazione di Dinamica Molecolare
- The Magic Imaginary Numbers
- Awk Programming II: Life in a Shell
- Physical Chemistry: The Simple Hückel Method (Part I)
- The Logistic Map and the Feigenbaum Constants: a Retro Programming Inspired Excursion
- A Practical Introduction to the C Language for Computational Chemistry. Part 1
- Retro programming nostalgia IV: L'Equilibrio e la Titolazione Acido/Base
Author Archives: Danilo Roccatano
Physical Chemistry: The Simple Hückel Method (Part II)
In the previous blog, 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 short 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 … 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
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Programming in Awk Language. LiStLA: 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
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Molekulare Maschinen: Die Coronavirus SARS-CoV-2 Bedrohung, Teil I.
Was Freunde mit und für uns tun, ist auch ein Erlebtes; denn es stärkt und fördert unsere Persönlichkeit. Was Feinde gegen uns unternehmen, erleben wir nicht, wir erfahren’s nur, lehnen’s ab und schützen uns dagegen wie gegen Frost, Sturm, Regen … Continue reading
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Le Macchine Molecolari: La minaccia del Coronavirus SARS-CoV-2. Parte I
Difficilmente è vinto colui che sa conoscere le forze sue e quelle del nemico. Nicollò Machiavelli in Dell’arte della guerra (1519-1520) Un virus è la vita nella forma più semplice. È la riduzione minimalista di un organismo ai suoi elementi … Continue reading
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Retro programming nostalgia IV: L’Equilibrio e la Titolazione Acido/Base
La motivazione per questo articolo nasce dal mio interesse per il retro-computing connesso, da una parte, alla rivalutazione delle mie esplorazioni giovanili del calcolo scientifico in linguaggio BASIC e dall’altra, alla popolarità che, negli ultimi anni, stanno avendo nel settore … Continue reading
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Modelling Natural Shapes: (Easter) Eggs 2020
One year ago, I wrote an article about the modelling of the egg shapes, promising at one point to come back on the topics. A next step in studying eggs shapes is to look to real one or a copy … Continue reading
Posted in Leonardo's Corner, Science Topics, What is new
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Nanoparticles in Biology and Medicine
I am very pleased to announce that the second edition of the book Nanoparticles in Biology and Medicine edited by Enrico Ferrari, Mikhail Soloviev is now out. This fully updated volume presents a wide range of methods for synthesis, surface … Continue reading
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