O. Ouamerali

发表

Conformational analysis and intramolecular hydrogen bonding of cis-3-aminoindan-1-ol: a quantum chemical study

A. Benaboura, D. Kheffache, H. Guemmour, 2013, Journal of Molecular Modeling.

A comparative study of carbon plasma emission in methane and argon atmospheres

S. Abdelli-Messaci, O. Ouamerali, H. Yousfi, 2018 .

The OH−(H2O)2 system: efficiency of ab initio and DFT calculations for two- and three-body interactions

R. Moszynski, A. Milet, O. Ouamerali, 2002 .

Theoretical Study, NBO Analysis, HOMO/LUMO and First Static Hyperpolarizability for the Structural Prediction of New 1X-tri-R-σ3λ3-Phosphacyclohexadienyl Anion Ligands Using DFT Calculations

O. Ouamerali, Achour Sadi, 2020, Journal of Structural Chemistry.

Theoretical study of the geometrical and electronic structures and thermochemistry of spherophanes

C. Daul, T. Jarrosson, O. Ouamerali, 2009, Journal of molecular modeling.

Atomic and Molecular Species Post-2 μs Dynamics in Laser-Induced Carbon Plasmas in Air

S. Abdelli-Messaci, O. Ouamerali, H. Yousfi, 2020, Applied spectroscopy.

Theoretical study of selenium and tellurium impurities in (ZnO)6 clusters using DFT and TDDFT

O. Ouamerali, A. Saal, A. Dekhira, 2016 .

Theoretical study of the properties of the radical PS, its anion and cation

O. Ouamerali, G. D. Maré, Y. Moussaoui, 1998 .

DFT and TDDFT study of chemical reactivity and spectroscopic properties of M(TePh)2 [TMEDA] M=Zn, Cd, and Hg complexes

O. Ouamerali, A. Dekhira, N. Zouaghi, 2020, Structural Chemistry.

Theoretical investigation of the spectroscopic properties of diatomic systems: ZnTe, ZnTe+, and ZnTe-

O. Ouamerali, H. Yousfi, N. Bensiradj, 2022, Molecular Physics.

Complexation of manganese(II), cobalt(II), nickel(II) and copper(II) by a ligand derived from 1,2,4-triazole: Potentiometric studies and Density Functional Theory calculations

M. Hamdi, D. Kheffache, O. Ouamerali, 2013 .

Etude MNDO des composes conjugues enneagonaux

O. Ouamerali, J. Gayoso, 1986 .

Theoretical investigation of the structure and spectroscopy of uranium oxide species

O. Ouamerali, H. Yousfi, N. Bensiradj, 2022, Theoretical Chemistry Accounts.

Some physicochemical properties of the antitumor drug thiotepa and its metabolite tepa as obtained by density functional theory (DFT) calculations

Ourida Ouamerali, Djaffar Kheffache, D. Kheffache, 2010, Journal of molecular modeling.

Properties of the phosphorus oxide radical, PO, its cation and anion in their ground electronic states: comparison of theoretical and experimental data

O. Ouamerali, G. R. De Maré, Y. Moussaoui, 2003 .

A comparative post-Hartree–Fock and density functional theory study of monochalcogenide diatomic molecules

C. Adamo, Vincent Tognetti, L. Joubert, 2008 .

Theoretical study of the OH−(H2O)2 system: Nature and importance of three-body interactions

P. Wormer, R. Moszynski, A. Milet, 1998 .

Study of the Influence of the Nature and Position of the Halogen Atom in the N-Halogenophenyl-2,5-dimethylpyrrole Upon the Vibrational (Hyper)polarizability: Theoretical Study

O. Ouamerali, Amar Saal, 2003 .

Molecular hydrogen encapsulation in spherophanes

C. Daul, T. Jarrosson, O. Ouamerali, 2009 .

Vibrational and electronic contributions to the polarizability and first hyperpolarizability of monosubstituted acetylene: Theoretical study

O. Ouamerali, Amar Saal, 2004 .

Theoretical analysis of the electronic properties of N3 derivatives.

Carlo Adamo, Ilaria Ciofini, Frédéric Labat, 2007, The journal of physical chemistry. A.

Fluorine substituent effect on the stereochemistry of catalyzed and non-catalyzed Diels-Alder reactions. The case of R-butenone with cyclopentadiene: a computational assessment of the mechanism.

C. Morell, H. Chermette, O. Ouamerali, 2018, Physical chemistry chemical physics : PCCP.