A. Shalabi

发表

The role of FA1:Ag+ defects in laser light generation and coadsorption of CO and halogen atoms at the KCl and KBr surface sites. First principles calculations

Safaa Abdelaal Abdelrazik, A. Shalabi, 2007 .

Bond Functions and Core Correlation Energy Contributions To HeBe Potential

A. Shalabi, E. Nour, W. Halim, 1998 .

Converged Hartree-Fock and frequency calculations molecular hydrogen

A. Shalabi, K. Khamis, 1996 .

ON THE CONVERGENCE OF THE HARTREE-FOCK ENERGY FOR NEGATIVE IONS USING SYSTEMATICALLY CONSTRUCTED BASIS SETS OF PRIMITIVE GAUSSIAN-TYPE FUNCTIONS

S. Wilson, A. Shalabi, 1995 .

CO adsorption on Pd atoms deposited on MgO, CaO, SrO and BaO surfaces: density functional calculations

A. Shalabi, W. Halim, S. A. Aal, 2008 .

Optical properties of charged FA1+: Zn2+, Cd2+, Hg2+ centers in the bulk and at the surface of MgO: Theoretical study

M. A. Kamel, H. Taha, A. Shalabi, 2008 .

Artificial polarization effects on Fa1:Sr2+ lasers and NO interactions at NaCl (001) surface : First principles calculations

A. Shalabi, W. Halim, S. A. Aal, 2007 .

The role of artificial polarization in FA2:Ca2+ lasers and NO interactions at RbCl (001) surface : An ab initio study

M. A. Kamel, H. Taha, A. Shalabi, 2007 .

The role of oxidation states in F A1 Tl n+ ( n = 1, 3) lasers and CO interactions at the (1 0 0) surface of NaCl: An ab initio study

M. A. Kamel, H. Taha, A. Shalabi, 2006 .

The role of oxidation states in laser light generation, color image formation and adsorbate–substrate interactions. Comparative study of FA:Tl+1, FB:Tl+1, FA:Tl+3 and FB:Tl+3 color centers at the (1 0 0) and (1 1 0) surfaces of AgBr crystal

A. Shalabi, W. Halim, S. A. Aal, 2006 .

Theoretical modeling of laser light generation and color image formation: FA1:Tl+ and FA2:Ga+ color centers at the low coordination (1 0 0) and (1 1 0) surfaces of AgCl and AgBr

M. A. Kamel, A. Shalabi, W. Halim, 2006 .

The role of type II FB (I):Tl+ defect in laser light generation and color image formation at the low coordination surface sites of AgBr: ab initio calculations

N. K. Madi, N. Madi, A. Shalabi, 2006 .

Ab initio defect based model for laser light generation and color image formation at the flat, edge and corner surfaces of AgBr: FA1:Cs+ and FA2:Li+

M. A. Kamel, A. Shalabi, W. Halim, 2005 .

Theoretical study of laser light generation and color image formation: FA1 :Cs+ and FA2:Li+ centers at the low coordination (100) and (110) surfaces of AgCl and AgBr

M. A. Kamel, A. Shalabi, H. Y. Ammar, 2005 .

The role of FA:K+ and FA:Na+ defects in laser light generation and color image formation at the (100) and (110) surface sites of AgCl and AgBr.

M. A. Kamel, M. Shalaby, H. Taha, 2004 .

FA1:La2+ and FA2:Sc2+ color center lasers and color image sensitization at the low coordination (0 0 1) surface of AgBr by ab initio calculations

M. Shalaby, A. Shalabi, W. Halim, 2004 .

Type I FA (Rb+, Cs+) and II FA(Li+, Na+) tunable laser activities and donor-acceptor properties of O and O- at KCl (001) surface: first principle calculations

A. Shalabi, S. A. Aal, A. El-Mahdy, 2002 .

F2+ defect based model for tunable laser activity and interaction of atomic halogens (F, Cl and Br) at the low coordinated surfaces of LiH: ab initio calculations

A. Shalabi, 2002 .

FA(Ga+,In+,Tl+) tunable laser activity and interaction of halogen atoms (F,Cl,Br,I,At) at the (0 0 1) surface of KCl crystal: ab initio calculations

A. Shalabi, A. El-Mahdy, T. El-Essawy, 2002 .

F+ laser performance and interaction of Cu, Ag and Au at the reduced oxygen coordination of MgO surface: first principles calculations

A. Shalabi, W. Zordok, M. Nour, 2001 .

Adsorptivity of atomic H and coadsorptivity of Mg and O ions on regular and irregular surfaces of MgO: DFT calculations

A. Shalabi, A. El-Mahdy, 2001 .

Ground and excited state properties of I–V dipoles and alkaline earth oxides at the (001) surfaces of alkali chlorides: DFT calculations

A. Shalabi, A. El-Mahdy, A. A. Shalabi, 2001 .

Z1 center orientation and adsorptivity of atomic hydrogen at LiH (001) surface : DFT calculations

A. Shalabi, A. El-Mahdy, A. A. Shalabi, 2001 .

U2 center, adsorption, coadsorption and epitaxial growth of Cu, Ag and Au on LiH(001) surface: DFT calculations

M. A. Kamel, A. A. El-Barbary, A. Shalabi, 2001 .

Performance of metalloporphyrin malonic acids as dye sensitizers for use in dye-sensitized solar cells assessed by density functional theory

K. Soliman, A. Mahdy, H. Taha, 2014 .

Spacetime curvature from ultrarapid measurements of quantum fields

A. Shalabi, T. Perche, 2022, Physical Review D.

Many body expansion and ion diffusion in LiH crystal

M. A. Kamel, A. Shalabi, Kh.M. Eid, 1998 .

Interaction of O2 and N2 molecules with Au deposited on regular and defective CaO (001) surfaces: Density functional calculations

A. Shalabi, W. Halim, S. A. Aal, 2013 .

Calculations on clusters of Li and F ions at LiF crystal geometries

A. Shalabi, M. M. Shalabi, 1993 .

An ab initio approach to many-body energies and Be2+V- dipoles in LiH crystal and clusters

M. A. Kamel, A. Shalabi, Kh.M. Eid, 1999 .

Vk centre of LiH crystal surface

A. Shalabi, 1995 .

Routes for LiF unit cell growth

A. M. E. Misiery, A. Shalabi, 1993 .

Locally detecting UV cutoffs on a sphere with particle detectors

R. Mann, A. Shalabi, L. Henderson, 2022, 2210.11503.

Surface morphology and interaction between water and MgO, CaO and SrO surfaces - Periodic HF and DFT calculations

A. Shalabi, W. Halim, 2004 .

F+ tunable laser activity and interaction of atomic halogens (F, Cl and Br) at the low coordinated surface sites of SrO

A. Shalabi, 2002, Journal of molecular modeling.

Ab initio calculations of energy transfer and non-additivity in the He-Ne laser system

M. A. Kamel, A. Shalabi, M. Abd El-Rahman, 1999 .

Møller-Plesset fourth order perturbations and group theoretical formalism for C2v and D3h isomers of ozone

A. Shalabi, 1992 .

Magnetic and binding properties of metal-divacancy complexes at MgO (0 0 1) surface: DFT calculations

A. Shalabi, W. Halim, M. Ghonaim, 2011 .

Orientation of H center and adsorptivity of atomic H on LiH(001) surface: ab initio study

A. Shalabi, W. Halim, M. Nour, 2001 .

Theoretical characterisation of irreversible and reversible hydrogen storage reactions on Ni-doped C60 fullerene

K. Soliman, H. Taha, A. Shalabi, 2014 .

Potential energy curves of H and H− interactions with He

A. A. El-Barbary, A. Shalabi, Kh.M. Eid, 1998 .

Ground and excited state properties of many-body energies in Lin+nF-ions

A. Shalabi, S. Shalabi, Kh.M. Eid, 1992 .

Ab initio calculations of many-body energy expansion in Linn+F− clusters

A. Shalabi, Kh.M. Eid, M. Kamel, 1992 .

Multibody expansion with zero point vibrational energy correction combined with group theoretical analysis for M2X+ (M = Li,Na; X = F,Cl)

A. Shalabi, 1991 .

Nodal configurations and many-body energies in Li33+, F33−, Li22+ F− and Li+F22− ions at crystal and cluster geometries

A. Shalabi, 1991 .

Transition metal atoms on oxide supports density functional calculations

A. Shalabi, W. Halim, K. A. Soliman, 2009 .

Bulk dislocation-U defect interaction, surface excitons and adsorptivity of atomic H on dislocated surfaces of LiH crystal: ab initio calculations

A. A. El-Barbary, A. Shalabi, Kh.M. Eid, 2001 .

F2+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr: ab initio calculations

A. Shalabi, S. A. Aal, A. El-Mahdy, 2002 .

The role of FA(I):Tl+ and FA(II):Ga+ defects in laser light generation and photographic sensitization at the low-coordination surface sites of AgBr first principles calculations

A. Shalabi, 2003 .

Comparative study of errors in HeH− interaction energy calculations

A. A. El-Barbary, A. Shalabi, Kh.M. Eid, 1998 .

An ab initio approach to bulk and surface properties of many-body energies and adsorptivity in MgO crystal

A. Shalabi, A. El-Mahdy, 1999 .

The stability of peroxide ion O22− at (110), (210) and (001) surfaces of MgO, CaO and SrO periodic ab initio calculations

A. Shalabi, W. Halim, 2002 .

Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study

A. Shalabi, W. Halim, S. A. Aal, 2008 .

Adsorption of He and Ne on regular, irregular and defected surfaces of LiH crystal: ab initio study

A. Shalabi, M. M. Assem, S. Abdel-Aal, 1999 .

Spin quenching of transition metals deposited on MgO insulator and CdO semiconductor density functional calculations

A. Shalabi, W. Halim, S. A. Aal, 2011 .

Excitons, electron center diffusion and adsorptivity of atomic H on LiH (0 0 1) surface: Ab initio study

A. Shalabi, H. Y. Ammar, A. El-Mahdy, 2000 .

Properties of F+, F and F- electron centers and adsorptivity of atomic H on LiF and NaH isoelectronic crystals: an ab initio study

A. Shalabi, H. Y. Ammar, A. El-Mahdy, 2001 .

M Center Diffusion, Excitons and Adsorptivity of Atomic H and He on LiH (001) Surface

Z. Fathi, A. Shalabi, Kh.M. Eid, 2000 .

Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study

A. Shalabi, N. Abdullah, S. Abdel-Aal, 2012, Journal of Molecular Modeling.

FA(I):Au+ and FA(II):Cu+ laser activity and photographic sensitization at the low coordinated surfaces of AgBr ab initio calculations

A. S. Shalabi, A. Shalabi, 2002, J. Comput. Chem..

Glasner-Tompkins relation and reorientation of U centers in LiF crystals

A. A. El-Barbary, A. Shalabi, Kh.M. Eid, 1999 .

Reorientation of self-trapped hole and adsorptivity of atomic hydrogen on LiH (001) surface : ab initio study

A. Shalabi, A. El-Mahdy, M. Kamel, 2000 .

THE ROLE OF OXIDATION STATES IN LASER LIGHT GENERATION AND COLOR IMAGE FORMATION (II) AN AB INITIO STUDY OF FA: Hg+ AND FA: Hg++ COLOR CENTERS AT THE LOW COORDINATION (100) AND (110) SURFACES OF AgBr CRYSTAL

A. Shalabi, Kh.M. Eid, 2005 .

STH centers in LiF and NaH crystals: ab initio calculations

A. Shalabi, A. El-Mahdy, M. Kamel, 2001 .

On the convergence of the many-body perturbation theory second-order energy component for negative ions using systematically constructed basis sets of primitive Gaussian-type functions

S. Wilson, A. Shalabi, 1998 .

Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations

A. Shalabi, W. Halim, S. A. Aal, 2012 .

Characterization of van der Waals interaction potentialsD4h andTd configurations of He4

A. Shalabi, E. Nour, W. Halim, 2000 .

Theoretical characterization and many-body expansion analysis of BF3, BCl3, AlF3 and AlCl3 interactions

A. Shalabi, M. M. Assem, K. Kamel, 1995 .

Rates and mechanisms of the intermolecular cation-exchange reactions of sodium tetraphenylboron with sodium-nitrobenzene and with sodium-p-nitrobenzonitrile

C. A. Humphreys, N. Atherton, A. Shalabi, 1984 .

Ab Initio and MNDO Calculations Comparison with the VSEPR Model

A. Shalabi, 1990 .

Converged Hartree‐Fock and electron correlation calculations using systematically constructed basis sets of primitive Gaussian type functions of s‐symmetry

A. Shalabi, 1996 .

Practical limitations of quantum data propagation on noisy quantum processors

T. Kyaw, A. Shalabi, G. Saxena, 2023, Physical Review Applied.

The effect of ruthenium on the performance of porphyrin dye and porphyrin–fullerene dyad solar cells predicted by DFT and TD-DFT calculations

A. Shalabi, S. Abdel Aal, A. M. El Mahdy, 2013 .