关注
C* M* Zicovich*
C* M* Zicovich*
Professor of physics, Autonomous U. of Morelos State
在 uaem.mx 的电子邮件经过验证
标题
引用次数
引用次数
年份
Crystal09
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich Wilson, ...
Dipartimento di Chimica, 2009
2982*2009
Quantum‐mechanical condensed matter simulations with CRYSTAL
R Dovesi, A Erba, R Orlando, CM Zicovich‐Wilson, B Civalleri, L Maschio, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (4), e1360, 2018
16212018
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
14762014
CRYSTAL14 user’s manual
R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 265, 2014
11092014
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code
F Pascale, CM Zicovich‐Wilson, F López Gejo, B Civalleri, R Orlando, ...
Journal of computational chemistry 25 (6), 888-897, 2004
9402004
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
B Civalleri, CM Zicovich-Wilson, L Valenzano, P Ugliengo
CrystEngComm 10 (4), 405-410, 2008
8842008
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
6582011
Calculation of the vibration frequencies of α‐quartz: The effect of Hamiltonian and basis set
CM Zicovich‐Wilson, F Pascale, C Roetti, VR Saunders, R Orlando, ...
Journal of computational chemistry 25 (15), 1873-1881, 2004
5332004
CRYSTAL2003 user’s manual
VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ...
University of Torino, Torino 14, 2003
4892003
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
2872001
Wiley Interdiscip
R Dovesi, A Erba, R Orlando, CM Zicovich-Wilson, B Civalleri, L Maschio, ...
Rev.: Comput. Mol. Sci 8 (4), e1360, 2018
2762018
Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework
JC Tan, B Civalleri, CC Lin, L Valenzano, R Galvelis, PF Chen, ...
Physical review letters 108 (9), 095502, 2012
2662012
Ab Initio Study of the Vibrational Spectrum and Related Properties of Crystalline Compounds; the Case of CaCO3 Calcite
L Valenzano, FJ Torres, K Doll, F Pascale, CM Zicovich-Wilson, R Dovesi
Oldenbourg Wissenschaftsverlag 220 (7), 893-912, 2006
2552006
Local-MP2 electron correlation method for nonconducting crystals
C Pisani, M Busso, G Capecchi, S Casassa, R Dovesi, L Maschio, ...
The Journal of chemical physics 122 (9), 2005
2412005
Preferential location of Ge in the double four-membered ring units of ITQ-7 zeolite
T Blasco, A Corma, MJ Díaz-Cabañas, F Rey, JA Vidal-Moya, ...
The Journal of Physical Chemistry B 106 (10), 2634-2642, 2002
2382002
A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations
CM Zicovich-Wilson, R Dovesi, VR Saunders
The Journal of Chemical Physics 115 (21), 9708-9719, 2001
2382001
The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation
M Prencipe, F Pascale, CM Zicovich-Wilson, VR Saunders, R Orlando, ...
Physics and Chemistry of Minerals 31, 559-564, 2004
2162004
Flexibility in a metal–organic framework material controlled by weak dispersion forces: the bistability of MIL‐53 (Al)
AM Walker, B Civalleri, B Slater, C Mellot‐Draznieks, F Corà, ...
Angewandte Chemie International Edition 49 (41), 7501-7503, 2010
1912010
Vibration frequencies of Mg3Al2Si3O12 pyrope. An ab initio study with the CRYSTAL code
F Pascale, CM Zicovich-Wilson, R Orlando, C Roetti, P Ugliengo, ...
The Journal of Physical Chemistry B 109 (13), 6146-6152, 2005
1772005
Vibrational spectrum of brucite, Mg (OH) 2: a periodic ab initio quantum mechanical calculation including OH anharmonicity
F Pascale, S Tosoni, C Zicovich-Wilson, P Ugliengo, R Orlando, R Dovesi
Chemical Physics Letters 396 (4-6), 308-315, 2004
1662004
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