Mauro Causà

Materials Science · Physical Sciences

41h-index7.1kcitations213works0.02yr avg
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Research Topics

X-ray Diffraction in Crystallography(75), Advanced Chemical Physics Studies(63), Crystallization and Solubility Studies(61), Crystallography and molecular interactions(36), Catalytic Processes in Materials Science(16)

Publications213 total

The Influence of the A Monovalent Cation on Structural and Vibrational Properties of AVF <sub>3</sub> Perovskites: A DFT Computational Study
Journal of Raman Spectroscopy·2025
On how mild oxidation affects the structure of carbons: Comparative analysis by different techniques
Applications in Energy and Combustion Science·2020· 2 citedOpen Access
The VN defect in diamond: A quantum mechanical simulation of the vibrational spectra and EPR properties
Carbon·2020· 5 cited
Soot inception: A DFT study of σ and π dimerization of resonantly stabilized aromatic radicals
Fuel·2020· 25 citedOpen Access
The CRYSTAL code, 1976–2020 and beyond, a long story
The Journal of Chemical Physics·2020· 204 citedOpen Access
CCDC 1957518: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957524: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957520: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957523: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957521: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957525: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957526: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957519: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
CCDC 1957522: Experimental Crystal Structure Determination
The Cambridge Structural Database·2020Open Access
Metal defects in HKUST-1 MOF revealed by vibrational spectroscopy: a combined quantum mechanical and experimental study
Journal of Materials Chemistry A·2020· 80 cited
N<sub>2</sub> positively charged defects in diamond. A quantum mechanical investigation of the structural, electronic, EPR and vibrational properties
Journal of Materials Chemistry C·2020· 10 cited
Hierarchy of Intermolecular Interactions and Selective Topochemical Reactivity in Different Polymorphs of Fused-Ring Heteroaromatics
Crystal Growth & Design·2019· 26 cited
Hydrogen, boron and nitrogen atoms in diamond: a quantum mechanical vibrational analysis
Theoretical Chemistry Accounts·2018· 19 citedOpen Access
Translating Microscopic Molecular Motion into Macroscopic Body Motion: Reversible Self-Reshaping in the Solid State Transition of an Organic Crystal
Crystal Growth & Design·2018· 14 cited
Se reconnaître en tant que locuteur plurilingue : une étape centrale pour la mise en place d'une didactique du plurilinguisme
HAL (Le Centre pour la Communication Scientifique Directe)·2018· 1 cited
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Frequent Co-authors

Roberto Dovesi(18), C. Roetti(9), C. Pisani(7), V. R. Saunders(5), Roberto Orlando(4), Michel Rérat(4), Ales̆ Zupan(4), Bernard Silvi(4), Vincenzo Barone(4), Claudio M. Zicovich‐Wilson(3), Bartolomeo Civalleri(3), Philippe D’Arco(3), Fabio Trani(3), D. Ninno(3), Vincenzo Busico(3), Raffaele Credendino(3), Marco De La Pierre(2), Yves Nöel(2), Bernard Kirtman(2), N. M. Harrison(2)