Yves NoŽl
Yves NoŽl
Institut des Sciences de la Terre de Paris - ISTeP ; Sorbonne Universite
Verified email at sorbonne-universite.fr
Title
Cited by
Cited by
Year
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
12002014
CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
R Dovesi, R Orlando, B Civalleri, C Roetti, VR Saunders, ...
Zeitschrift fŁr Kristallographie-Crystalline Materials 220 (5/6), 571-573, 2005
1109*2005
CRYSTAL17
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
Gruppo di Chimica Teorica, Dipartimento di Chimica, 2017
7152017
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
2372001
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
2212003
Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study
B Civalleri, F Napoli, Y NoŽl, C Roetti, R Dovesi
CrystEngComm 8 (5), 364-371, 2006
1962006
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 (5-6), 991-1000, 2007
1122007
The vibrational frequencies of forsterite Mg2SiO4: 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
692006
, M. Rťrat and B. Kirtman
R Dovesi, R Orlando, A Erba, CM Zicovich-Wilson, B Civalleri, S Casassa, ...
Int. J. Quantum Chem 114, 1287-1317, 2014
652014
CRYSTAL 2014 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino, 2013
622013
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
622007
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
552002
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
542010
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
522009
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 Rťrat, CM Zicovich-Wilson, R Dovesi
The Journal of Physical Chemistry C 115 (18), 8876-8885, 2011
492011
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
482008
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
462011
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
452014
Thermophysical properties of the α–β–γ polymorphs of Mg2SiO4: a computational study
G Ottonello, B Civalleri, J Ganguly, MV Zuccolini, Y Noel
Physics and Chemistry of Minerals 36 (2), 87-106, 2009
442009
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
432010
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