الرئيسية
الأبحاث العلمية
التدريس
التدرج الوظيفى
السيرة الذاتية
البحث الأكاديمى
إتصل بنا
الموقع الجديد
المجالات البحثية
تطبيقات كيمياء الكم في تخزين الطاقة
كمياء الكم
الابحاث العلمية
1 -
Theoretical study of gallium nitride nanocage as a carrier for 5-fluorouracil anticancer drug (2019).
2 -
Tuning hydrogen storage of carbon nanotubes by mechanical bending: theoretical study (2016).
3 -
Theoretical characterization of highly efficient dye sensitized solar cells (2014).
4 -
Interaction of O2 and N2 molecules with Au deposited on regular and defective CaO (001) surfaces: Density functional calculations (2013).
5 -
Ab initio characterization of Ti decorated SWCNT for hydrogen storage (2013).
6 -
DFT calculations of the CO adsorption on Mn, Fe, Co, and Au deposited at MgO (100) and CdO (100) (2012).
7 -
Spin quenching of Mn in complexes and CO binding with Mn deposited on MgO and CaO supports: DFT calculations (2012).
8 -
Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study (2012).
9 -
Magnetic and binding properties of metal-divacancy complexes at MgO (001) surface: DFT calculations (2011).
10 -
Spin quenching of transition metals deposited on MgO insulator and CdO semiconductor density functional calculations (2011).
11 -
CO adsorption on Ni, Pd, Cu and Ag deposited on MgO, CaO, SrO and BaO: Density functional calculations (2009).
12 -
Transition metal atoms on oxide supports density functional calculations (2009).
13 -
Cl2 adsorption on supported alkali metals and on the MgO and CaO (001) supports: A DFT study (2008).
14 -
Optical properties of charged F_A1^+:Zn^(2+), Cd2+, Hg2+ centers in the bulk and at the surface of MgO: Theoretical study (2008).
15 -
CO adsorption on Pd atoms deposited on MgO, CaO, SrO and BaO surfaces: density functional calculations (2008).
16 -
Artificial polarization effects on F_A1^∶Sr^(2+), lasers and NO interactions at NaCl (001) surface: First principles calculations (2007).
17 -
CO adsorption on MgO, CaO and SrO crystals periodic Hartree–Fock calculations (2007).
18 -
The role of artificial polarization inF_A2^∶Ca^(2+) lasers and NO interactions at RbCl (001) surface: An ab initio study (2007).
19 -
The role of oxidation states in laser light generation, color image formation and adsorbate–substrate interactions. Comparative study of〖 F〗_A^∶Tl^(+1), F_B^∶Tl^(+1), F_A^∶Tl^(+3)and F_B^∶Tl^(+3) color centers at the (100) and (110) surface (2006).
20 -
The role of oxidation states in F_A1^∶Tl^(n+) (n=1, 3) lasers and CO interactions at the (100) surface of NaCl: An ab initio study (2006).
21 -
Theoretical modeling of laser light generation and color image formation: F_A1^∶Tl^+ and F_A2^∶Ga^+ color centers at the low coordination (100) and (1 1 0) surfaces of AgCl and AgBr (2006).
22 -
Ab initio defect based model for laser light generation and color image formation at the flat, edge and corner surfaces of AgBr: F_A1^∶Cs^+ and F_A2^∶Li^+ (2005).
23 -
Surface morphology and interaction between water and MgO, CaO and SrO surfaces Periodic HF and DFT calculations (2004).
24 -
F_A1^∶La^(2+) and F_A2^∶Sc^(2+) color center lasers and color image sensitization at the low coordination (001) surface of AgBr by ab initio calculations (2004).
25 -
The stability of peroxide ion O_2^(2-) at (110), (210) and (001) surfaces of MgO, CaO and SrO periodic ab initio calculations (2002).
26 -
Orientation of H Center and Adsorptivity of Atomic H on LiH (001) surface: ab initio study (2001).
27 -
Characterization of van der Waals interaction potentialsD4h andTd configurations of He4 (2000).
28 -
Bond functions and core correlation energy Contributions to HeBe potential (1998).
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Zagazig University
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