Author Search Results :: Library Catalog

1
Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulation by D’Arco, P., Noel, Y., Demichelis, Raffaella, Dovesi, R.

Published 2009

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2
Structure and stability of aluminium trihydroxides bayerite and gibbsite: A quantum mechanical ab initio study with the CRYSTAL06 code by Demichelis, Raffaella, Civalleri, B., Noel, Y., Meyer, A., Dovesi, R.

Published 2008

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3
Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional by Demichelis, Raffaella, Noel, Y., D'Arco, P., Maschio, L., Orlando, R.

Published 2010

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4
Physico-chemical features of aluminum hydroxides as modeled with 2 the hybrid B3LYP functional and localized basis functions by Demichelis, Raffaella, Noel, Y., Ugliengo, P., Zicovich-Wilson, C., Dovesi, R.

Published 2011

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5
On the Use of Symmetry in the Ab Initio Quantum Mechanical Simulation of Nanotubes and Related Materials by Noel, Y., D'Arco, P., Demichelis, Raffaella, Zicovich-Wilson, C., Dovesi, R.

Published 2010

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6
The vibrational spectrum of [alpha]-AlOOH diaspore: An ab initio study with the CRYSTAL code by Demichelis, Raffaella, Noel, Y., Civalleri, B., Roetti, C., Ferrero, M., Dovesi, R.

Published 2007

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7
Ab initio quantum mechanical study of [gamma]-AlOOH Boehmite: structure and vibrational spectrum by Noel, Y., Demichelis, Raffaella, Pascale, F., Ugliengo, P., Orlando, R., Dovesi, R.

Published 2009

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8
Structure and Vibrational Spectra by Dovesi, R., Ferrari, A., De La Pierre, Marco, Orlando, R., Noël, Y.

Published 2013

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9
Ab-initio Quantum Mechanical Study of Akdalaite (5Al2O3· H2O): Structure and Vibrational Spectrum by Demichelis, Raffaella, Noel, Y., Zicovich-Wilson, C., Roetti, C., Valenzano, L., Dovesi, R.

Published 2008

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10
Structural, electronic and energetic properties of giant icosahedral fullerenes up to C6000: insights from an ab initio hybrid DFT study by Noël, Y., De La Pierre, M, Zicovich-Wilson, C., Orlando, R., Dovesi, R.

Published 2014

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11
Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids by D'Arco, P., Mustapha, S., Ferrabone, M., Noël, Y., De La Pierre, Marco, Dovesi, R.

Published 2013

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12
Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals by Demichelis, Raffaella, Noel, Y., D'Arco, P., Rerat, M., Zicovich-Wilson, C., Dovesi, R.

Published 2011

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13
On the use of symmetry in configurational analysis for the simulation of disordered solids by Mustapha, S., D'Arco, P., De La Pierre, Marco, Noël, Y., Ferrabone, M., Dovesi, R.

Published 2013

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14
The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation by De La Pierre, Marco, Noël, Y., Mustapha, S., Meyer, A., D'Arco, P., Dovesi, R.

Published 2013

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15
On the use of symmetry in SCF calculations. The case of fullerenes and nanotubes by Zicovich-Wilson, C., Noel, Y., Ferrari, A., Orlando, R., De La Pierre, Marco, Dovesi, R.

Published 2012

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16
Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional by Noël, Y., De La Pierre, Marco, Maschio, L., Rérat, M., Zicovich-Wilson, C., Dovesi, R.

Published 2012

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17
The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations by Demichelis, Raffaella, Suto, H., Noel, Y., Sogawa, H., Naoi, T., Koike, C., Chihara, H., Shimobayashi, N., Ferrabone, M., Dovesi, R.

Published 2012

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18
CRYSTAL14: A program for the ab initio investigation of crystalline solids by Dovesi, R., Orlando, R., Erba, A., Zicovich-Wilson, C., Civalleri, B., Casassa, S., Maschio, L., Ferrabone, M., De La Pierre, M, D'Arco, P., Noël, Y., Causà, M., Rérat, M., Kirtman, B.

Published 2014

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19
The CRYSTAL code, 1976-2020 and beyond, a long story by Dovesi, R., Pascale, F., Civalleri, B., Doll, K., Harrison, N.M., Bush, I., D'Arco, P., Noel, Y., Rera, M., Carbonniere, P., Causa, M., Salustro, S., Lacivita, V., Kirtman, B., Ferrari, A.M., Gentile, F.S., Baima, J., Ferrero, M., Demichelis, Raffaella, De La Pierre, Marco

Published 2020

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Search Results - Noel, Y.

Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulation by D’Arco, P., Noel, Y., Demichelis, Raffaella, Dovesi, R.

Structure and stability of aluminium trihydroxides bayerite and gibbsite: A quantum mechanical ab initio study with the CRYSTAL06 code by Demichelis, Raffaella, Civalleri, B., Noel, Y., Meyer, A., Dovesi, R.

Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional by Demichelis, Raffaella, Noel, Y., D'Arco, P., Maschio, L., Orlando, R.

Physico-chemical features of aluminum hydroxides as modeled with 2 the hybrid B3LYP functional and localized basis functions by Demichelis, Raffaella, Noel, Y., Ugliengo, P., Zicovich-Wilson, C., Dovesi, R.

On the Use of Symmetry in the Ab Initio Quantum Mechanical Simulation of Nanotubes and Related Materials by Noel, Y., D'Arco, P., Demichelis, Raffaella, Zicovich-Wilson, C., Dovesi, R.

The vibrational spectrum of [alpha]-AlOOH diaspore: An ab initio study with the CRYSTAL code by Demichelis, Raffaella, Noel, Y., Civalleri, B., Roetti, C., Ferrero, M., Dovesi, R.

Ab initio quantum mechanical study of [gamma]-AlOOH Boehmite: structure and vibrational spectrum by Noel, Y., Demichelis, Raffaella, Pascale, F., Ugliengo, P., Orlando, R., Dovesi, R.

Structure and Vibrational Spectra by Dovesi, R., Ferrari, A., De La Pierre, Marco, Orlando, R., Noël, Y.

Ab-initio Quantum Mechanical Study of Akdalaite (5Al2O3· H2O): Structure and Vibrational Spectrum by Demichelis, Raffaella, Noel, Y., Zicovich-Wilson, C., Roetti, C., Valenzano, L., Dovesi, R.

Structural, electronic and energetic properties of giant icosahedral fullerenes up to C6000: insights from an ab initio hybrid DFT study by Noël, Y., De La Pierre, M, Zicovich-Wilson, C., Orlando, R., Dovesi, R.

Symmetry and random sampling of symmetry independent configurations for the simulation of disordered solids by D'Arco, P., Mustapha, S., Ferrabone, M., Noël, Y., De La Pierre, Marco, Dovesi, R.

Properties of Carbon Nanotubes: An ab Initio Study Using Large Gaussian Basis Sets and Various DFT Functionals by Demichelis, Raffaella, Noel, Y., D'Arco, P., Rerat, M., Zicovich-Wilson, C., Dovesi, R.

On the use of symmetry in configurational analysis for the simulation of disordered solids by Mustapha, S., D'Arco, P., De La Pierre, Marco, Noël, Y., Ferrabone, M., Dovesi, R.

The infrared vibrational spectrum of andradite-grossular solid solutions: A quantum mechanical simulation by De La Pierre, Marco, Noël, Y., Mustapha, S., Meyer, A., D'Arco, P., Dovesi, R.

On the use of symmetry in SCF calculations. The case of fullerenes and nanotubes by Zicovich-Wilson, C., Noel, Y., Ferrari, A., Orlando, R., De La Pierre, Marco, Dovesi, R.

Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional by Noël, Y., De La Pierre, Marco, Maschio, L., Rérat, M., Zicovich-Wilson, C., Dovesi, R.

The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations by Demichelis, Raffaella, Suto, H., Noel, Y., Sogawa, H., Naoi, T., Koike, C., Chihara, H., Shimobayashi, N., Ferrabone, M., Dovesi, R.

CRYSTAL14: A program for the ab initio investigation of crystalline solids by Dovesi, R., Orlando, R., Erba, A., Zicovich-Wilson, C., Civalleri, B., Casassa, S., Maschio, L., Ferrabone, M., De La Pierre, M, D'Arco, P., Noël, Y., Causà, M., Rérat, M., Kirtman, B.

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