المؤلفون: Alexander Platonenko, William C. Mackrodt, Roberto Dovesi

المصدر: Materials, Vol 16, Iss 5, p 1979 (2023)

مصطلحات موضوعية: N-doped diamond, C-centre, Ns defects, optical spectra, Δ-SCF calculations, Gaussian orbitals, Technology, Electrical engineering. Electronics. Nuclear engineering, TK1-9971, Engineering (General). Civil engineering (General), TA1-2040, Microscopy, QH201-278.5, Descriptive and experimental mechanics, QC120-168.85

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/1996-1944/16/5/1979Test; https://doaj.org/toc/1996-1944Test

الوصول الحر: https://doaj.org/article/3c7ce485c9c94f8698dccd7e40a52646Test

المؤلفون: Fabien Pascale, Sami Mustapha, Philippe D’Arco, Roberto Dovesi

المصدر: Materials, Vol 16, Iss 4, p 1532 (2023)

مصطلحات موضوعية: KFeF3 perovskite, Jahn–Teller effect, cubic or tetragonal, orientation of the unit cell, d occupancy, simulation, Technology, Electrical engineering. Electronics. Nuclear engineering, TK1-9971, Engineering (General). Civil engineering (General), TA1-2040, Microscopy, QH201-278.5, Descriptive and experimental mechanics, QC120-168.85

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/1996-1944/16/4/1532Test; https://doaj.org/toc/1996-1944Test

الوصول الحر: https://doaj.org/article/b9a48218e547433cb26b732f89e51eb6Test

المؤلفون: Francesco Silvio Gentile, Rosita Diana, Barbara Panunzi, Ugo Caruso, Alexander Platonenko, Fabien Pascale, Roberto Dovesi

المصدر: Symmetry, Vol 13, Iss 9, p 1650 (2021)

مصطلحات موضوعية: lithium niobate, ferroelectricity, DFT-simulation, CRYSTAL code, IR spectrum, isotopic substitution, Mathematics, QA1-939

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/2073-8994/13/9/1650Test; https://doaj.org/toc/2073-8994Test

الوصول الحر: https://doaj.org/article/85a1094460574acfb85e27f6050c628aTest

المؤلفون: Bartolomeo Civalleri, Roberto Dovesi, Pascal Pernot, Davide Presti, Andreas Savin

المصدر: Computation, Vol 4, Iss 2, p 20 (2016)

مصطلحات موضوعية: benchmarks, density functional theory, method selection, uncertainty quantification, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

العلاقة: http://www.mdpi.com/2079-3197/4/2/20Test; https://doaj.org/toc/2079-3197Test

الوصول الحر: https://doaj.org/article/5ff99c31605646b8bd6b07c5c71001faTest

المؤلفون: Bouamra, Faiza, Roberto Dovesi, Fabien Pascale, Philippe D’Arco, Francesco Gentile, Valentina Lacivita, Robert M. Hanson, Michel Rérat, Frédéric Labat, Bennacer Badis, S. Casassa, Pascal Pernot, Andreas Savin, Maddalena D'Amore, Gentoku Takasao, Hiroki Chikuma, Toru Wada, Toshiaki Taniike, Anna Maria Ferrari, Bouhafs Bachir, BAADJI Nadjib, Schäfer Rudolf, Jana K. Vejpravova, Martin Kalbac, Loumafak Hafaifa, Fatiha Daoudi, Radia Boudaira, Omar Meglali, Nadhir Attaf, Assia Bouraiou, Amel Benmansour, Smaine Bekhechi, Badr-Eddine Nabil Brahmi, Benattou Halima, Bessi Assia, B. Laidi Baya, Lakhal Noussaiba, Nadir Belgroune, MZ Ahmed, Nabil Khelifati, Baya Palahouane, Brahim Mahmoudi, Hakim Amrouche, Djoudi Bouhafs, Seddik-El-Hak Abaisia, Nassima Meftah, Amina Hani, S. Limam, A. Guittoum, R. Krause-Rehberg, Z. Mokrani, M. Izerrouken, U. Yashi, Imane Bouelkreb, Abderrahim Guittoum, Messaoud Hemmous, Nadia Boukherroub, Chahra Younsi, Manel Bouloudenine, Rafik Chemam, Amel Youcefi, Karima Bouakaz, Abdessamad Abada, Wafa Hadj Kouider, Tayeb Youcef Belabbas, Abbas Belfar, Lakhdar Sek, Mokhtar Falek, Mustafa Moumni, Ilhem Benaisti, Nacir Guechi, Mourad Dehbaoui, Zahi Souilah, Samia Dilmi, Fadhila Khalfaoui, F. Bouamra, M. Rérat, Abdallah Belhaddad, Abdelghani Bouabdallah, Abla Guechi, Mohamed Chegaar, Amria Bencherif, Ahmed Baari, Essaid Bousbiat, Abdelyamine Naitbouda, Benbaier Kouider, Bedrane Zeyneb, Liani Bachir, Zoubir Chaieb, Lyes Zougar, Samira.Sali, Nawal Benyahia, H. Mazari, A. Boumesjed, K. Ameur, N. Benseddik, Z. Benamara, Boumediene Bakhadda, Mohamed Bachir Bouiadjra, Fouad Bourada, Abdelmoumen Anis Bousahla, Abdelouahed Tounsi, S.R. Mahmoud, Rima Cherroun, Afak Meftah, Boudjenane F Z, Chouaih. A, Bahmani. A, Belakfouf. N, Boukabcha N, Megrouss. Y, Kara Ilham, Mostefa Zahira, Mahi fattima, Khadidja Ketroussi, Rabah Cherfi, Hadj Yahia Seba, Sonia Tata, Lamia Chabane, Abla Rahal, Saliha Kheris, Badra Bouabdallah, A. Khireddine, B. Tahir, A. Bouhemadou, N.S. Labidi, Yamina Lakred, Mokhtar Elchikh, Soumia Bahlouli, Samira Hamaili louaifi, Amina Mataoui, Mohamed Aksouh, H. Megherbi, A. Reffas, Mimouna Oukli, Noureddine Mehnane, Hafida Belghoul, Ilias Sbahi, Baya Zebentout, Raouia Djemai, Zineb Benamara, Kamel Khirouni, Zerradi Amal, Abdelmalek Ahmed, Abdellah Reguieg Yssaad, Krour Baghdad, Laib Salah Eddine, Djamila Kebci, Noureddine Bendjedda, M’hamed Hadj Moussa, N. Bouchelarem, M. Derbal, Imane Lanez, Brahim Rekik, Amina Kezzim, Mourad Derbal, Boudjemline Ihcen, Lydia Chabane, N. Naimi, B.Rekik, M.DERBAL, Mustapha Yahi, Kawther M’Hammedi, Noureddine Gabouze, Elaid Ouadah, Nasr-Eddine Hamdadou, Abdelkader Ammari, Leghighane Billel, Guerbous Lakhdhar, Taibeche Mohammed, Diaf Madjid, Aicha.BOUHLALA, Sabah Chettibi, Fatiha Saadaoui, Mostefa Zemouli, Fatima-Zohra Driss-Khodja, Tayeb Djaafri, Mohammed Driss-Khodja, Fatima Zahra Boualili, Messaoud Nemouchi, Michel Godefroid, Per Jönsson, Ikram Yssaad, Fatiha Hamidi, Bouraoui Hazem, Benmilat Ahmed, Benouatas Assia, Boudjada Ali, Redha. Aouati, A. Nouiri, H. Djaaboube, A. Bouabellou, Ahlem Boukhenfous, Malika Chikhi, Nadia Benseddik, Amina Louhadj, Fouzia Boukabrine, M.E.A. Belhadj, M.Belmekki, A.Bentouaf, Amirouche Touat, Asma Kadri, Said Hiadsi, Abderrahmane Bekaddour, Schahrazade Tizi, Boudali Akkal, Lina Linda Bechohra, Roya Majidi, Safia Kellou-Tairi, Asmaa Bahlouli, Leila Harkat, Ghania Fortas, Seddik-El-Hak Abaidia, Boudjemaa Bouaouina, Faouzi Kezzoula, Oum Keltoum Nebeg, Mohamed Bouchenafa, Abdennour Benmakhlouf, Guesmia Nesrine, Hamzaoui Majda, Beghdadi Lina, Mohamed Amine Benelmouaz, Sid Ahmed Beldjilali, Sabrina Messaoud Aberkane, Kenza Yahiaoui, Nabila Belkhir, Benslafa Nacera, Belmekki Mohamed, Diallo Mouhammad Affoh Ahmad Moctar, Fatma Bedrouni, Mohamed Ouchabane, Nadia Saidi-Amroun, Fateh Almabouada, Fatima Allouche, Tahar Benlecheb, Nabil Benyza, Manal Goudjil, Djaffar Kheffache, Maammar Rekis, Maroua Benlembarek, Ali Boulahouache, Zoubir Benmaamar, Mohamed Trari, Rafik Benrabaa, Nassima Salhi, Ikram Bellouati, Houda Bakhchi, Samia Bahlouli, Houaria Riane, Fatima Hamdache, Hanane. Lachenani, Souad.Ouir, Nourdinne. Gabouze, Bounaas Faiza, Amina Haoui, Labbani Amel, Asmaa Hireche Baghdad, Hanane Arioumlil, Faiza Bouamra, A. Benamer, A. Roumili, Y. Medkour, Hamza kahina, Boudine Boubkeur, Boudaren Chouki, Billal Brahimi, Elhadj Mekatel, Mounir Mellal, Nadia Hadjila, Nouha Bouzana, Selma Touam, Imene Khelil, Hocine Meradji, Sebti Ghemid, Djehiche Nour el houda, Saidi Hnane, Attaf Abdallah, Halima Hamada, Kadda Amara, Friha Khalfaoui, Fatiha Saadaui, Samira Hamada, Labdelli Boutaleb, Medani Sonia, Hamidi Samira, Abdelghani Boucheham, Djelloul Abdelkader, Benharrat Lyes, Samira Boukachabia, Fatima Zohra Bentayeb, Abbès Beloufa, Driss Bouguenna, Khaled Hebali, Abbes Maref, Chahinez Nasraoui, Lyes Benharrat, Boutaleb Labdelli, Abdelkader Djelloul, Ould Arab Halima, Boumeddiene Abdelkader, Ouagued Abdellah, Hanane Ibrahim, Dalila Hammiche, Amar Boukerrou, Abdellatif Cherifi, Benamar Bouhafs

المصدر: AIJR Books

مصطلحات موضوعية: Key words: attitude, internal mechanism, internal strengthen, maintain, motivation, I want to publish this paper to be a refrnece for teachers and language learners

وصف الملف: Digital (DA)

العلاقة: https://books.aijr.org/index.php/press/catalog/book/122Test

الإتاحة: https://books.aijr.org/index.php/press/catalog/book/122Test

المؤلفون: Mohamed L. AbouYoussef (14305053), Maged El-Kemary (11372793), Roberto Dovesi (1717675), Khaled E. El-Kelany (9426560)

مصطلحات موضوعية: Biophysics, Medicine, Cell Biology, Physiology, Pharmacology, Evolutionary Biology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, phosphorus nanotube gives, group includes p, corresponding tabular nanotubes, corresponding 2d bismuthene, computed quantum mechanically, distorted buckled b, eight considered nanocages, buckyball fullerene analogues, inducing first hyperpolarizability, pnictogen fullerene analogues, exohedral decorated x, 60 , nonlinear optical properties, nonlinear optical, second hyperpolarizability, pnictogen elements, first time, either distorted, finally nanocages, standard fullerene

العلاقة: https://figshare.com/articles/journal_contribution/Geometrical_Stability_and_Nonlinear_Optical_Properties_of_Crystallogen_and_Pnictogen_Fullerene_Analogues/21783819Test

الإتاحة: https://doi.org/10.1021/acs.jpca.2c04677.s001Test

المؤلفون: Fabien Pascale, Neveen I. Atallah, Khaled E. El-Kelany, Klaus Doll, Roberto Dovesi

المصدر: Physical Chemistry Chemical Physics. 25:12961-12973

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::14d7a5e752a80df122a3fb63de3ecd86Test
https://doi.org/10.1039/d3cp00181dTest

المؤلفون: Mohamed L. AbouYoussef, Maged El-Kemary, Roberto Dovesi, Khaled E. El-Kelany

المصدر: The Journal of Physical Chemistry A. 127:6-17

مصطلحات موضوعية: Physical and Theoretical Chemistry

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::514d29f973e6ac8c095a45b914b1d6a1Test
https://doi.org/10.1021/acs.jpca.2c04677Test

المؤلفون: Alessandro Erba, Matteo Ferrabone, Philippe Carbonniere, Michel Rérat, Roberto Dovesi, Jefferson Maul

مصطلحات موضوعية: Energy Research, Physical and Theoretical Chemistry, Computer Science Applications

العلاقة: url:https://www.openaccessrepository.it/communities/itmirrorTest; https://www.openaccessrepository.it/record/91575Test

الإتاحة: https://doi.org/10.1021/acs.jctc.9b00293Test
https://www.openaccessrepository.it/record/91575Test

المؤلفون: Alessandro Erba, Jefferson Maul, Roberto Dovesi, Michel Rérat, Matteo Ferrabone, Philippe Carbonniere

مصطلحات موضوعية: Energy Research, Physical and Theoretical Chemistry, Computer Science Applications

العلاقة: url:https://www.openaccessrepository.it/communities/itmirrorTest; https://www.openaccessrepository.it/record/91577Test

الإتاحة: https://doi.org/10.1021/acs.jctc.9b00294Test
https://www.openaccessrepository.it/record/91577Test