Physico-chem. doubts and paradoxes abound in the description of forces and in the mol. simulation of the cryst. state, as they did in Boyle's times about the inner structure of matter. Solid-state structuring and bonding are still characterized in sometimes doubtful, sometimes paradoxical, and sometimes distorted terminologies. Phase transitions are mostly considered as just relationships between the two termini, without an operational understanding of the in-between transition mechanisms. Drawing from personal experience and recent computational results, this highlight provides a few answers, many caveats, and some suggestions for a better handling of these tortuous matters.

The "sceptical chymist" : intermolecular doubts and paradoxes / A. Gavezzotti. - In: CRYSTENGCOMM. - ISSN 1466-8033. - 15:20(2013), pp. 4027-4035. [10.1039/c3ce00051f]

The "sceptical chymist" : intermolecular doubts and paradoxes

A. Gavezzotti
Primo
2013

Abstract

Physico-chem. doubts and paradoxes abound in the description of forces and in the mol. simulation of the cryst. state, as they did in Boyle's times about the inner structure of matter. Solid-state structuring and bonding are still characterized in sometimes doubtful, sometimes paradoxical, and sometimes distorted terminologies. Phase transitions are mostly considered as just relationships between the two termini, without an operational understanding of the in-between transition mechanisms. Drawing from personal experience and recent computational results, this highlight provides a few answers, many caveats, and some suggestions for a better handling of these tortuous matters.
X-RAY-DIFFRACTION ; CRYSTAL-STRUCTURE ; THEOPHYLLINE ; ENERGIES ; BENZOATE ; BONDS ; STATE ; RING
Settore CHIM/02 - Chimica Fisica
2013
Article (author)
File in questo prodotto:
File Dimensione Formato  
c3ce00051f.pdf

accesso aperto

Tipologia: Publisher's version/PDF
Dimensione 1 MB
Formato Adobe PDF
1 MB Adobe PDF Visualizza/Apri
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/222515
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 84
  • ???jsp.display-item.citation.isi??? 84
social impact