- Follow Danilo Roccatano on WordPress.com
Donations
Support this blog by donation
If you find the contents of this blog useful then you can support it with a small donation which will be used to cover management costs and encourage future developments. Se hai trovato utili i contenuti di questo blog, puoi supportarlo con una piccola donazione che verrà utilizzata per coprire i costi di gestione e incentivare progetti futuri. Wenn Sie den Inhalt dieses Blogs nützlich fanden, können Sie ihn mit einer kleinen Spende unterstützen, die zur Deckung der Verwaltungskosten und zur Förderung zukünftiger Projekte verwendet wird.
€1.00
-
Recent Posts
- 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
- The Dandelion (Taraxacum Officinalis) and OpenCV
-
Recent Posts
- 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
- The Dandelion (Taraxacum Officinalis) and OpenCV
Categories
Category Cloud
Translate
February 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 Top Posts & Pages
- The calculation of the Madelung constant
- The Calculation of the Lattice Energy: The Born-Haber Cycle
- Il calcolo della entalpia reticolare: il ciclo di Born-Haber
- Il calcolo della costante di Madelung
- Physical Chemistry: The Simple Hückel Method (Part I)
- Physical Chemistry: The Simple Hückel Method (Part II)
- About
- L'Energia Reticolare
- Berechnung der Konstante von Madelung
- Il calcolo delle cariche parziali atomiche
Author Archives: Danilo Roccatano
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
Leave a comment
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
Posted in Science Topics, What is new
Leave a comment
A Practical Introduction to the C Language for Computational Chemistry. Part 3
Sphere. From Space, from Space, Sir: whence else? Square. Pardon me, my Lord, but is not your Lordship already in Space, your Lordship and his humble servant, even at this moment? Sphere. Pooh! what do you know of Space? Define Space. Square. Space, my … Continue reading
Posted in Programming, Research, Science Topics
Leave a comment
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
Leave a comment
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
Leave a comment
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
Leave a comment
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
Leave a comment
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
Posted in Research, Science Topics, What is new
Leave a comment
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
Posted in Research, Science Topics
Leave a comment
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
Posted in Programming, Science Topics, What is new
Leave a comment