Yves Nol
Yves Nol
Institut des Sciences de la Terre de Paris - ISTeP ; Sorbonne Universite
Email verificata su sorbonne-universite.fr
Titolo
Citata da
Citata da
Anno
Crystal06
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
2806*2006
CRYSTAL14: A program for the ab initio investigation of crystalline solids
R Dovesi, R Orlando, A Erba, CM Zicovich‐Wilson, B Civalleri, S Casassa, ...
International Journal of Quantum Chemistry 114 (19), 1287-1317, 2014
12862014
CRYSTAL14 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 382, 2014
8102014
Gradient damage models and their use to approximate brittle fracture
K Pham, H Amor, JJ Marigo, C Maurini
International Journal of Damage Mechanics 20 (4), 618-652, 2011
3602011
Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches
Y Noel, CM Zicovich-Wilson, B Civalleri, P D’arco, R Dovesi
Physical Review B 65 (1), 014111, 2001
2452001
Full piezoelectric tensors of wurtzite and zinc blende ZnO and ZnS by first-principles calculations
M Catti, Y Noel, R Dovesi
Journal of Physics and Chemistry of Solids 64 (11), 2183-2190, 2003
2332003
Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study
B Civalleri, F Napoli, Y Nol, C Roetti, R Dovesi
CrystEngComm 8 (5), 364-371, 2006
2002006
Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite
L Valenzano, Y Noel, R Orlando, CM Zicovich-Wilson, M Ferrero, ...
Theoretical Chemistry Accounts 117 (5), 991-1000, 2007
1182007
The vibrational frequencies of forsterite Mg 2 SiO 4: An all-electron ab initio study with the CRYSTAL code
Y Noel, M Catti, P D’Arco, R Dovesi
Physics and Chemistry of Minerals 33 (6), 383-393, 2006
712006
, M. Rrat and B. Kirtman
R Dovesi, R Orlando, A Erba, CM Zicovich-Wilson, B Civalleri, S Casassa, ...
Int. J. Quantum Chem 114, 1287-1317, 2014
662014
The vibrational spectrum of α-AlOOH diaspore: An ab initio study with the CRYSTAL code
R Demichelis, Y Noel, B Civalleri, C Roetti, M Ferrero, R Dovesi
The Journal of Physical Chemistry B 111 (31), 9337-9346, 2007
652007
On the use of symmetry in the ab initio quantum mechanical simulation of nanotubes and related materials
Y Noel, P D'arco, R Demichelis, CM Zicovich‐Wilson, R Dovesi
Journal of computational chemistry 31 (4), 855-862, 2010
582010
Ab initio quantum mechanical study of γ-AlOOH boehmite: structure and vibrational spectrum
Y Noel, R Demichelis, F Pascale, P Ugliengo, R Orlando, R Dovesi
Physics and Chemistry of Minerals 36 (1), 47-59, 2009
582009
Performance of various Hamiltonians in the study of the piezoelectric properties of crystalline compounds: The case of BeO and ZnO
Y Noel, M Llunell, R Orlando, P D’Arco, R Dovesi
Physical Review B 66 (21), 214107, 2002
582002
Properties of carbon nanotubes: an ab initio study using large gaussian basis sets and various dft functionals
R Demichelis, Y Noel, P D’Arco, M Rrat, CM Zicovich-Wilson, R Dovesi
The Journal of Physical Chemistry C 115 (18), 8876-8885, 2011
512011
Structure and stability of aluminium trihydroxides bayerite and gibbsite: A quantum mechanical ab initio study with the Crystal06 code
R Demichelis, B Civalleri, Y Noel, A Meyer, R Dovesi
Chemical Physics Letters 465 (4-6), 220-225, 2008
492008
Physico-chemical features of aluminum hydroxides as modeled with the hybrid B3LYP functional and localized basis functions
R Demichelis, Y Noel, P Ugliengo, CM Zicovich-Wilson, R Dovesi
The Journal of Physical Chemistry C 115 (27), 13107-13134, 2011
482011
Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional
R Demichelis, Y Noel, P d'Arco, L Maschio, R Orlando, R Dovesi
Journal of Materials Chemistry 20 (46), 10417-10425, 2010
452010
Thermophysical properties of the α–β–γ polymorphs of Mg 2 SiO 4: a computational study
G Ottonello, B Civalleri, J Ganguly, MV Zuccolini, Y Noel
Physics and Chemistry of Minerals 36 (2), 87-106, 2009
442009
Crystal14 user’s manual; university of torino: Torino, italy, 2014
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
Google Scholar There is no corresponding record for this reference, 2014
422014
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
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