Dynamics of coordination of H 3 O+ and NH 4+ in crown ether cavities S Bessam, FH Reguig, AM Krallafa, B Martínez-Haya Physical Chemistry Chemical Physics 23 (14), 8633-8640, 2021 | 8 | 2021 |
Conformational influence on the C O stretching mode in cholesteryl alkanoates studied by Raman spectroscopy S Bresson, D Bormann, B Khelifa, FH Reguig, A Krallafa Vibrational spectroscopy 21 (1-2), 27-37, 1999 | 8 | 1999 |
Novel high/ultrahigh pressure structures of TiO2 with low band gaps D Bedghiou, FH Reguig, A Boumaza Computational Materials Science 166, 303-310, 2019 | 7 | 2019 |
Ab initio molecular dynamics investigation of proton delocalization in crown ether complexes with H3O+ and NH4 + W Taleb Bendiab, F Hamza Reguig, S Hamad, B Martínez-Haya, ... Journal of Inclusion Phenomena and Macrocyclic Chemistry 85, 83-92, 2016 | 7 | 2016 |
Proton transfer mechanisms and structural changes in the cholesteryl acetate FH Reguig, A Bouyacoub, A Krallafa, D Bormann, S Bresson, B Khelifa Computational materials science 15 (1), 113-117, 1999 | 5 | 1999 |
Electronic and structural properties of cholesteryl acetates FH Reguig, A Krallafa, D Bormann, B Khelifa Computational materials science 9 (3-4), 403-410, 1998 | 5 | 1998 |
The particular behavior of the cholesteryl acetate by Raman spectroscopy studies in the spectral range 1700–1780 cm− 1 S Bresson, B Khelifa, FH Reguig, A Krallafa Materials chemistry and physics 64 (1), 66-69, 2000 | 2 | 2000 |
Structure, Dynamics, and Photophysical Properties of a Series of [Pt(NH2R)4]–[PtX4] Complexes R Djouama, F Hamza Reguig, B Bounaceur, M Dauchez, AM Krallafa The Journal of Physical Chemistry A 124 (5), 911-923, 2020 | 1 | 2020 |
Proton transfer mechanisms and consequent structural changes involved in the cholesteryl acetate, a new reaction path FH Reguig, A Krallafa, D Bormann Computational materials science 21 (2), 243-248, 2001 | 1 | 2001 |
Effectiveness electronic density‐based descriptor to index hard–hard interaction B Benomrane, F Hamza Reguig, AM Krallafa Journal of Physical Organic Chemistry 35 (9), e4395, 2022 | | 2022 |
Theoretical and Experimental Studies of Micropores Catalysts A Dehbi, N Toumi, RI Bahoussi, MI Amrane, A Tabti, I Benchikh, Z Lounis, ... Proceedings of the Third International Symposium on Materials and …, 2018 | | 2018 |
Theoretical and vibrational spectroscopic analysis of the COstretching mode of cholesteryl alkanoates: The particular case of the cholesteryl acetate A Zanoun, FH Reguig, M Belhakem, A Krallafa, A Belaidi, D Bormann, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 62 (1-3 …, 2005 | | 2005 |
Electronic and Optical Properties of anatase/TiO2-II/brookite three-phase junction photocatalyst. D Bedghiou, FH Reguig, A Boumaza, E Perpète jtms2017: Journées Théorie, 29, 0 | | |
ISSN 0975-413X CODEN (USA): PCHHAX D Atallah, L Zoubida, FH Reguig, A Bengueddach | | |
Planar A2B2 (A= P, As) rings: Theoretical study of stable singlet diradicals D Berrezkallah, FH Reguig, A Krallafa | | |
DFT APPROACH OF STABLE SINGLET DIRADICALS: PLANAR A D BERREZKALLAH, FH REGUIG, A KRALLAFA | | |