Computational analysis of strain-induced electronic and optical properties of Zn3As2
Kaur, M., Sharma, G., Rérat, M., Joshi, K. B.
Published in Journal of materials science (01.04.2020)
Published in Journal of materials science (01.04.2020)
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First-principles calculations to investigate structural, electronic, optical and elastic properties of α-Ca3N2
Meena, P., Kaur, M., Kabra, K., Rérat, M., Sharma, G.
Published in Journal of alloys and compounds (15.12.2023)
Published in Journal of alloys and compounds (15.12.2023)
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Journal Article
Calculation of the Infrared Intensity of Crystalline Systems. A Comparison of Three Strategies Based on Berry Phase, Wannier Function, and Coupled-Perturbed Kohn–Sham Methods
Dovesi, R, Kirtman, B, Maschio, L, Maul, J, Pascale, F, Rérat, M
Published in Journal of physical chemistry. C (04.04.2019)
Published in Journal of physical chemistry. C (04.04.2019)
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The vibration properties of the (n,0) boron nitride nanotubes from ab initio quantum chemical simulations
Erba, A, Ferrabone, M, Baima, J, Orlando, R, Rérat, M, Dovesi, R
Published in The Journal of chemical physics (07.02.2013)
Published in The Journal of chemical physics (07.02.2013)
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Journal Article
Hydrogen atoms in the diamond vacancy defect. A quantum mechanical vibrational analysis
Salustro, S., Gentile, F.S., D'Arco, P., Civalleri, B., Rérat, M., Dovesi, R.
Published in Carbon (New York) (01.04.2018)
Published in Carbon (New York) (01.04.2018)
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Dual luminescence in solid CuI(piperazine): hypothesis of an emissive 1-D delocalized excited state
Maini, L, Braga, D, Mazzeo, P P, Maschio, L, Rérat, M, Manet, I, Ventura, B
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2015)
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Effect of different potassium levels in hay on acid–base status and mineral balance in periparturient dairy cows
Rérat, M., Philipp, A., Hess, H.D., Liesegang, A.
Published in Journal of dairy science (01.12.2009)
Published in Journal of dairy science (01.12.2009)
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Journal Article
Periodic ab initio estimates of the dispersive interaction between molecular nitrogen and a monolayer of hexagonal BN
Halo, M, Casassa, S, Maschio, L, Pisani, C, Dovesi, R, Ehinon, D, Baraille, I, Rérat, M, Usvyat, D
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Journal Article
Electronic and Optical Modeling of Solar Cell Compounds CuGaSe2 and CuInSe2
Soni, Amit, Dashora, Alpa, Gupta, Vikas, Arora, C. M., Rérat, M., Ahuja, B. L., Pandey, Ravindra
Published in Journal of electronic materials (01.11.2011)
Published in Journal of electronic materials (01.11.2011)
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Energy expenditure of grazing cows and cows fed grass indoors as determined by the 13C bicarbonate dilution technique using an automatic blood sampling system
Kaufmann, L.D., Münger, A., Rérat, M., Junghans, P., Görs, S., Metges, C.C., Dohme-Meier, F.
Published in Journal of dairy science (01.04.2011)
Published in Journal of dairy science (01.04.2011)
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Journal Article
Elastic and optical properties of BeS, BeSe and BeTe under pressure
Khenata, R., Bouhemadou, A., Hichour, M., Baltache, H., Rached, D., Rérat, M.
Published in Solid-state electronics (01.07.2006)
Published in Solid-state electronics (01.07.2006)
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Journal Article
Full-potential calculations of structural, elastic and electronic properties of MgAl2O4 and ZnAl2O4 compounds
Khenata, R., Sahnoun, M., Baltache, H., Rérat, M., Reshak, Ali H., Al-Douri, Y., Bouhafs, B.
Published in Physics letters. A (05.09.2005)
Published in Physics letters. A (05.09.2005)
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