المعلومات الشخصية

أستاذ

قسم الكيمياء

كلية العلوم

وسائل التواصل

هاتف: 64468

بريد الكتروني: saziz@kau.edu.sa

سعدالله قارى عبيدالله عزيز

أستاذ

نبذة عامة

الاسم: سعد الله قاري عبيد الله قاري عزيز

الوظيفة: أستاذ الكيمياء الفيزيائية –جامعة الملك عبدالعزيز

المؤهل العلمي: دكتوراه - جامعة سسكس- بريطانيا- 1408هـ (1988م)

الاهتمامات البحثية الحالية:  كيمياء نظرية - تعليم الكيمياء لطلاب المدارس.

جوال 0504598774           بريد إلكتروني: saziz@kau.edu.sa

 

النشاطات الحديثة:

1-تدريس عدد من مقررات البكالوريوس والماجستير والدكتوراه بقسم الكيمياء.

2-الاشراف على عدد من رسائل الماجستير والدكتوراه.

3-البحث الرئيس لعدد من مشاريع الأبحاث الممولة من الجامعة ومدينة الملك عبدالعزيز للعلوم والتقنية.

4-الإشراف والتنسيق وتنفيذ عدد من الدورات التدريبية داخل الجامعة.

5-عضو لجنة التحكيم في الأولمبياد الوطني للإبداع العلمي "إبداع 2020". الرياض - فبراير 2020

6-عضو لجنة تحكيم اختيار الفائز بجائزة الملك فيصل العالمية في العلوم سنة 2020. الرياض - يناير 2020

7-مدير مركز النشر العلمي المكلف 1426 – 1430 هـ.

8-عميد شئون المكتبات 1428 – 1432 هـ.

9-مستشار بمكتب وكيل الجامعة للشئون التعليمية 1432 – حتى الان.

 

النشاطات السابقة:

1- عضو اللجنة العليا المنظمة للمؤتمر الدولي السابع للاقتصاد الإسلامي خلال الفترة من
25 – 27 / 3 / 1429 هـ الموافق 2 – 4 / 4 / 2008 م

2- عضو اللجنة العليا المنظمة للمؤتمر الدولي للتقنيات المتناهية الصغر خلال الفترة من
13 – 15 / 6 / 1429 هـ الموافق 17 – 19 / 6 / 2008 م

3-عضو اللجنة العليا للندوة العالمية للاستخدامات السلمية للتقنية النووية في دول مجلس التعاون الخليجي خلال الفترة من 8 – 10 / 4 / 1429 هـ الموافق 14 – 16 / 4 / 2008 م.

4-عضو اللجنة الإشرافية العليا لفعاليات الأيام العلمية للجامعات اليمنية في رحاب الجامعة. 1429 هـ

5- عضو اللجنة الإشرافية للقاء الثاني لوكلاء الجامعات السعودية للشئون الأكاديمية.
1429 هـ

6-عضو اللجنة الدائمة لأمانة جوائز جامعة الملك عبدالعزيز للبحث العلمي. 1429 هـ.

7-مستشار بمكتب وكيل الجامعة للشئون التعليمية 1432 – حتى الان.

8-عضو اللجنة الدائمة لشئون اعضاء هيئة التدريس المتعاقدين 1433 – حتى الان.

9-منسق كلية العلوم و محكم علمي في الملتقى العلمي الرابع لطلاب و طالبات جامعة الملك عبدالعزيز للعام الدراسي 1433 – 1434 هـ

10-عضو لجنة الاشراف و المتابعة لتنفيذ برامج و مشروعات وكالة الجامعة للشئون التعليمية بالخطة الاستراتيجية الثانية للجامعة 1434 هـ

11-منسق كلية العلوم و محكم علمي في الملتقى العلمي الخامس لطلاب و طالبات جامعة الملك عبدالعزيز للعام الدراسي 1434 – 1435 هـ

12-منسق كلية العلوم في الملتقى العلمي السادس لطلاب و طالبات جامعة الملك عبدالعزيز للعام الدراسي 1435 – 1436 هـ.

13-عضو مجلس عمادة معهد الاقتصاد الاسلامي 1436- 1438.

14-عضو لجنة الاشراف و المتابعة لتنفيذ برامج و مشروعات وكالة الجامعة للشئون التعليمية بالخطة الاستراتيجية الثالثة للجامعة 1436 هـ - حتى الان

15-عضو لجنة بدل التعليم الجامعي 1439 – حتى الان

16-عضو لجنة بدل الندرة لاعضاء هيئة التدريس السعوديين 1439- حتى الان

17-عضو لجنة تطوير السنة التحضيرية بالجامعة 1439-حتى الان

18-عضو مجلس عمادة خدمة المجتمع و التعليم المستمر بالجامعة عام 1420 – 1424.

19-رئيس لجنة التسجيل للمؤتمر السعودي الثاني للعلوم 1425 هـ

20-رئيس لجنة التسجيل و السكرتارية لورشة عمل وثيقة الآراء للأمير عبدالله بن عبدالعزيز حول التعليم العالي 1425 هـ

21-عضو اللجنة الدائمة لإعداد التقرير السنوي للجامعة للاعوام 1424 / 1425هـ ، 1425 / 1426هـ، 1426 / 1427هـ، 1427 / 1428هـ، 1428 /1429 هـ.

22-عضو لجنة وضع ضوابط تحكم إصدار المجلات و النشرات داخل الجامعة 1427 - 1430 هـ.

23-عضو اللجنة العليا المنظمة للمؤتمر الدولي للعيون المائية بجامعة الملك عبدالعزيز.

24-عضو لجنة دراسة واقع التأليف و النشر و الترجمة في الجامعة 11 / 1428 هـ

25-عضو اللجنة الدائمة للطوارئ بالجامعة 11 / 1428 هـ

26-مدير مركز النشر العلمي المكلف 1428 – 1430 هـ.

27-عضو اللجنة العليا المنظمة للمؤتمر الدولي السابع للاقتصاد الإسلامي خلال الفترة من
25 – 27 / 3 / 1429 هـ الموافق 2 – 4 / 4 / 2008 م

28-عضو اللجنة العليا المنظمة للمؤتمر الدولي للتقنيات المتناهية الصغر خلال الفترة من
13 – 15 / 6 / 1429 هـ الموافق 17 – 19 / 6 / 2008 م

29-عضو اللجنة العليا للندوة العالمية للاستخدامات السلمية للتقنية النووية في دول مجلس التعاون الخليجي خلال الفترة من 8 – 10 / 4 / 1429 هـ الموافق 14 – 16 / 4 / 2008 م.

30-عضو اللجنة الإشرافية العليا لفعاليات الأيام العلمية للجامعات اليمنية في رحاب الجامعة. 1429 هـ

31-عضو اللجنة الإشرافية للقاء الثاني لوكلاء الجامعات السعودية للشئون الأكاديمية.
1429 هـ

32-عضو اللجنة الدائمة لأمانة جوائز جامعة الملك عبدالعزيز للبحث العلمي. 1429 هـ.

33-عضو اللجنة الدائمة لشئون اعضاء هيئة التدريس المتعاقدين 1433 – حتى الان.

34-منسق كلية العلوم و محكم علمي في الملتقى العلمي الرابع لطلاب و طالبات جامعة الملك عبدالعزيز للعام الدراسي 1433 – 1434 هـ

35-عضو لجنة الاشراف و المتابعة لتنفيذ برامج و مشروعات وكالة الجامعة للشئون التعليمية بالخطة الاستراتيجية الثانية للجامعة 1434 هـ

36-منسق كلية العلوم و محكم علمي في الملتقى العلمي الخامس لطلاب و طالبات جامعة الملك عبدالعزيز للعام الدراسي 1434 – 1435 هـ

37-منسق كلية العلوم في الملتقى العلمي السادس لطلاب و طالبات جامعة الملك عبدالعزيز للعام الدراسي 1435 – 1436 هـ.

38-عضو مجلس عمادة معهد الاقتصاد الاسلامي 1436- 1438.

39-عضو لجنة الاشراف و المتابعة لتنفيذ برامج و مشروعات وكالة الجامعة للشئون التعليمية بالخطة الاستراتيجية الثالثة للجامعة 1436 هـ - حتى الان

40-عضو لجنة بدل التعليم الجامعي 1439 – حتى الان

41-عضو لجنة بدل الندرة لاعضاء هيئة التدريس السعوديين 1439- حتى الان

42-عضو لجنة تطوير السنة التحضيرية بالجامعة 1439-حتى الان

43-عضو لجنة الطاقة الاستيعابية للكليات 1439-حتى الان

44-عضو لجنة تطوير التعاقد الالكتروني بالجامعة 1438-حتى الان

45-عضو لجنة جائزة القسم العلمي المتميز 1439- حتى الان

46-عضو لجنة ملتقى رؤساء و مشرفي الاقسام العلمية بالجامعة 1440 هـ

الشهادات العلمية

  • 1988

    درجة الدكتوراة من الكيمياءكلية العلوم الجزيئية, جامعة سسكس, برايتون, بريطانيا

الخبرات السابقة

الاهتمامات البحثية

List of Publications

 

2020

1

Synthesis, characterization, computational study, DNA binding and molecular docking studies of chromium (III) drug-based complexes

SG Aziz, SA Elroby, A Jedidi, BA Babgi, NS Alshehri, MA Hussien

Journal of Molecular Structure, 128283

2

Solvation and Speciation of Cobalt (II). A Theoretical X-Ray Absorption and RIXS Study

BH Allehyani, WI Hassan, SG Aziz, RH Hilal, O Kühn, SI Bokarev

Chemical Physics, 110681

 

2019

3

Solvent-assisted excited state proton transfer and photoacidity of 2-hydroxypyridine. A nonadiabatic dynamics study

R Hilal, SG Aziz

Molecular Simulation 45 (3), 165-177 (2019)

 

2018

4

Proton-coupled electron transfer in dye-sensitized solar cells: a theoretical perspective

SG Aziz, OI Osman, SA Elroby, WMI Hassan, A Jedidi, RH Hilal

Structural Chemistry 29 (4), 983-997 (2018)

5

Density matrix based time-dependent configuration interaction approach to ultrafast spin-flip dynamics (vol 115, pg 1898, 2017)

H Wang, S Bokarev, SG Aziz, O Kuhn

MOLECULAR PHYSICS 116 (15-16), 2142-2142 (2018)

6

Theoretical insights into dehydrogenative chemisorption of alkylaromatics on Pt (1 0 0) and Ni (1 0 0)

AO Alghamdi, A Jedidi, SG Aziz, K Takanabe, L Cavallo

Journal of Catalysis 363, 197-203 (2018)

7

Impact of Hydroxylation and Hydration on the Reactivity of α?Fe2O3 (0001) and (102) Surfaces under Environmental and Electrochemical Conditions

J Noh, H Li, OI Osman, SG Aziz, P Winget, JL Brédas

Advanced Energy Materials 8 (21), 1800545 (2018)

8

Erratum: Ultrafast Spin-State Dynamics in Transition-Metal Complexes Triggered by Soft-X-Ray Light [Phys. Rev. Lett. 118, 023001 (2017)]

H Wang, SI Bokarev, SG Aziz, O Kühn

Physical review letters 120 (26), 269901 (2018)

9

Proton-coupled electron transfer in dye-sensitized solar cells: a theoretical perspective

SG Aziz, OI Osman, SA Elroby, WMI Hassan, A Jedidi, RH Hilal

Structural Chemistry, 1-15 (2018)

10

Characterization of the structural, mechanical, and electronic properties of fullerene mixtures: a molecular simulations description

NR Tummala, SG Aziz, V Coropceanu, JL Bredas

Journal of Materials Chemistry C 6 (14), 3642-3650 (2018)

 

2017

11

Nonadiabatic dynamics of cycloparaphenylenes with TD-DFTB surface hopping

L Stojanovic, SG Aziz, RH Hilal, F Plasser, TA Niehaus, M Barbatti

J. Chem. Theory Comput., 2017, 13 (12), pp 5846–5860 (2017)

12

Time dependent–density functional theory characterization of organic dyes for dye-sensitized solar cells

R Hilal, SG Aziz, OI Osman, JL Bredas

Molecular Simulation 43 (18), 1523-1531 (2017)

13

Nucleophilic Aromatic Addition in Ionizing Environments: Observation and Analysis of New C–N Valence Bonds in Complexes between Naphthalene Radical Cation and Pyridine

R Peverati, SP Platt, IK Attah, SG Aziz, MS El-Shall, M Head-Gordon

Journal of the American Chemical Society 139 (34), 11923-11932 (2017)

14

Ultrafast kinetics of linkage isomerism in Na2 [Fe (CN) 5NO] aqueous solution revealed by time-resolved photoelectron spectroscopy

Azhr A Raheem, Martin Wilke, Mario Borgwardt, Nicholas Engel, Sergey I Bokarev, Gilbert Grell, Saadullah G Aziz, Oliver Kühn, Igor Yu Kiyan, Christoph Merschjann, Emad F Aziz

Structural Dynamics 4 (4), 044031 (2017)

15

Toward better understanding of the support effect: test cases for CO dissociation on Fe n/TiO 2 (110), n= 4, 5

A Jedidi, SG Aziz, L Cavallo, C Minot

Chemical Physics Letters Volume 684, 16 September 2017, Pages 30-35 (2017)

16

Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems

Christopher Sutton, Naga Rajesh Tummala, Travis Kemper, Saadullah G Aziz, John Sears, Veaceslav Coropceanu, Jean-Luc Brédas

The Journal of Chemical Physics 146 (22), 224705 (2017)

17

A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy

S Karsten, SI Bokarev, SG Aziz, SD Ivanov, O Kühn

The Journal of Chemical Physics 146 (22), 224203 (2017)

18

Electronic structure and acid–base properties of Kojic acid and its dimers. A DFT and quantum topology study

SG Aziz, AO Alyoubi, SA Elroby, RH Hilal

Molecular Physics, 1-12 (2017)

19

Ultrafast Spin Crossover in [FeII (bpy) 3] 2+: Revealing Two Competing Mechanisms by Extreme Ultraviolet Photoemission Spectroscopy

Alexandre Moguilevski, Martin Wilke, Gilbert Grell, Sergey I Bokarev, Saadullah G Aziz, Nicholas Engel, Azhr A Raheem, Oliver Kühn, Igor Yu Kiyan, Emad F Aziz

ChemPhysChem 18 (5), 465-469 (2017)

20

Effect of substitution on the optoelectronic properties of dyes for DSSC. A DFT approach

RN Almogati, SG Aziz, R Hilal

Journal of Theoretical and Computational Chemistry 16 (02), 1750018 (2017)

21

Nuclear Dynamical Correlation Effects in X-ray Spectroscopy from a Theoretical Time-Domain Perspective

S Karsten, SD Ivanov, SG Aziz, SI Bokarev, O Ku?hn

The Journal of Physical Chemistry Letters 8 (5), 992-996 (2017)

22

The electronic structure of alloxan monohydrate. Spectroscopic and density functional synergic approach

SA Elroby, SG Aziz, RH Hilal

Journal of Molecular Structure 1130, 487-496 (2017)

23

Density matrix-based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

H Wang, SI Bokarev, SG Aziz, O Kühn

Molecular Physics, 1-10 (2017)

24

Ultrafast Spin-State Dynamics in Transition-Metal Complexes Triggered by Soft-X-Ray Light

H Wang, SI Bokarev, SG Aziz, O Kühn

Physical Review Letters 118 (2), 023001 (2017)

25

Gas phase hydration of halogenated benzene cations. Is it hydrogen or halogen bonding?

KA Mason, AC Pearcy, IK Attah, SP Platt, SG Aziz, MS El-Shall

Physical Chemistry Chemical Physics 19 (28), 18603-18611 (2017)

26

Light-induced relaxation dynamics of the ferricyanide ion revisited by ultrafast XUV photoelectron spectroscopy

Nicholas Engel, Sergey I Bokarev, Alexandre Moguilevski, Azhr A Raheem, Ruba Al-Obaidi, Tobias M?hle, Gilbert Grell, Katrin R Siefermann, Bernd Abel, Saadullah G Aziz, Oliver Kühn, Mario Borgwardt, Igor Yu Kiyan, Emad F Aziz

Physical Chemistry Chemical Physics 19 (22), 14248-14255 (2017)

27

Observation of covalent and electrostatic bonds in nitrogen-containing polycyclic ions formed by gas phase reactions of the benzene radical cation with pyrimidine

IK Attah, AR Soliman, SP Platt, M Meot-Ner, SG Aziz, MS El-Shall

Physical Chemistry Chemical Physics 19 (9), 6422-6432 (2017)

28

Soft X-ray spectroscopy of transition metal compounds: a theoretical perspective

SI Bokarev, R Hilal, SG Aziz, O Kühn

EPJ Web of Conferences 132, 02004 (2017)

 

2016

29

The Thermodynamic and Kinetic Properties of 2-Hydroxypyridine/2-Pyridone Tautomerization: A Theoretical and Computational Revisit

SA Hejazi, OI Osman, AO Alyoubi, SG Aziz, RH Hilal

International journal of molecular sciences 17 (11), 1893 (2016)

30

UV excitations of halons

L Stojanovi?, AO Alyoubi, SG Aziz, RH Hilal, M Barbatti

The Journal of chemical physics 145 (18), 184306 (2016)

31

Towards an ab initio theory for metal L-edge soft X-ray spectroscopy of molecular aggregates

M Preuße, SI Bokarev, SG Aziz, O Kühn

Structural Dynamics 3 (6), 062601 (2016)

32

Erratum:“Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling”[J. Chem. Phys. 143, 074104]

G Grell, SI Bokarev, B Winter, R Seidel, EF Aziz, SG Aziz, O Kühn

The Journal of chemical physics 145 (8), 089901 (2016)

33

Ultrafast spin-flip dynamics in transition metal complexes triggered by soft X-ray light

H Wang, SI Bokarev, SG Aziz, O Kühn

arXiv preprint arXiv:1608.04979 (2016)

34

Nuclear dynamical correlation effects in X-ray spectroscopy from a time-domain perspective

S Karsten, SD Ivanov, SG Aziz, SI Bokarev, O Kühn

arXiv preprint arXiv:1608.03436 (2016)

35

Packing and Disorder in Substituted Fullerenes

NR Tummala, SA Elroby, SG Aziz, C Risko, V Coropceanu, JL Brédas

The Journal of Physical Chemistry C 120 (31), 17242-17250 (2016)

36

Photochemical dissociation of HOBr. A nonadiabatic dynamics study

SG Aziz, AO Alyoubi, SA Elroby, RH Hilal

Journal of Photochemistry and Photobiology A: Chemistry 324, 8-13 (2016)

37

Xe-bearing hydrocarbon ions: Observation of Xe. acetylene+ and Xe. benzene+ radical cations and calculations of their ground state structures

Z Cui, IK Attah, SP Platt, SG Aziz, M Kertesz, MS El-Shall

Chemical Physics Letters 649, 8-14 (2016)

38

Unconventional CH delta+ center dot center dot center dot N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile molecules

SP Platt, IK Attah, MS El-Shall, R Hilal, SA Elroby, SG Aziz

PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18 (4), 2580-2590 (2016)

39

Xe-bearing hydrocarbon ions: Observation of Xe. acetylene (+ center dot) and Xe. benzene (+ center dot) radical cations and calculations of their ground state structures

ZH Cui, IK Attah, SP Platt, SG Aziz, M Kertesz, MS El-Shall

Chemical Physics Letters 649, 8-14 (2016)

40

Joint analysis of radiative and non-radiative electronic relaxation upon X-ray irradiation of transition metal aqueous solutions

Ronny Golnak, Sergey I Bokarev, Robert Seidel, Jie Xiao, Gilbert Grell, Kaan Atak, Isaak Unger, Stephan Thürmer, Saadullah G Aziz, Oliver Kühn, Bernd Winter, Emad F Aziz

Scientific reports 6 (2016)

41

Unconventional CH δ+? N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile molecules

SP Platt, IK Attah, MS El-Shall, R Hilal, SA Elroby, SG Aziz

Physical Chemistry Chemical Physics 18 (4), 2580-2590 (2016)

42

Efficient extraction of sulfate from water using a Zr-metal–organic framework

AJ Howarth, TC Wang, SS Al-Juaid, SG Aziz, JT Hupp, OK Farha

Dalton Transactions 45 (1), 93-97 (2016)

 

2015

43

Quantum Topology of the Charge Density of Chemical Bonds. QTAIM Analysis of the C-Br and O-Br Bonds

R Hilal, SG Aziz, AO Alyoubi, S Elroby

Procedia Computer Science 51, 1872-1877 (2015)

44

Effect of Solvent Additives on the Solution Aggregation of Phenyl-C61–Butyl Acid Methyl Ester (PCBM)

NR Tummala, C Sutton, SG Aziz, MF Toney, C Risko, JL Bredas

Chemistry of Materials 27 (24), 8261-8272 (2015)

45

Gas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations

SG Aziz, OI Osman, SA Elroby, RH Hilal

International journal of molecular sciences 16 (11), 26347-26362 (2015)

46

Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes

NR Tummala, Z Zheng, SG Aziz, V Coropceanu, JL Brédas

The journal of physical chemistry letters 6 (18), 3657-3662 (2015)

47

Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

G Grell, SI Bokarev, B Winter, R Seidel, EF Aziz, SG Aziz, O Kühn

The Journal of chemical physics 143 (7), 074104 (2015)

48

Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties

J Noh, OI Osman, SG Aziz, P Winget, JL Brédas

Chemistry of Materials 27 (17), 5856-5867 (2015)

49

Unraveling the Electronic Structure of Photocatalytic Manganese Complexes by L-Edge X-ray Spectroscopy

SI Bokarev, M Khan, MK Abdel-Latif, J Xiao, R Hilal, SG Aziz, EF Aziz, ...

The Journal of Physical Chemistry C 119 (33), 19192-19200 (2015)

50

Substituent effects on the absorption and vibrational spectra of some 2-hydroxy Schiff bases: DFT/TDDFT, natural bond orbital and experimental study

SA Elroby, S Aboud, SG Aziz, R Hilal

Journal of Structural Chemistry 56 (3), 414-427 (2015)

51

Communication: Ion mobility of the radical cation dimers:(Naphthalene) 2+• and naphthalene+•-benzene: Evidence for stacked sandwich and T-shape structures

SP Platt, IK Attah, S Aziz, MS El-Shall

The Journal of chemical physics 142 (19), 191102 (2015)

52

Protonation and deprotonation enthalpies of alloxan and implications for the structure and energy of its complexes with water: a computational study

BH Allehyani, SA Elroby, SG Aziz, RH Hilal

Journal of Biomolecular Structure and Dynamics 33 (4), 897-910 (2015)

53

Towards Understanding the Decomposition/Isomerism Channels of Stratospheric Bromine Species: Ab Initio and Quantum Topology Study

SG Aziz, AO Alyoubi, SA Elroby, OI Osman, RH Hilal

International journal of molecular sciences 16 (4), 6783-6800 (2015)

54

Interaction of polar and nonpolar organic pollutants with soil organic matter: Sorption experiments and molecular dynamics simulation

AA Ahmed, S Thiele-Bruhn, SG Aziz, RH Hilal, SA Elroby, AO Al-Youbi, ...

Science of The Total Environment 508, 276-287 (2015)

55

Photochemistry of methyl hypobromite (CH 3 OBr): excited states and photoabsorption spectrum

L Stojanovi?, GP Rodrigues, SG Aziz, RH Hilal, M Barbatti

RSC Advances 5 (117), 97003-97015 (2015)

56

Ultrafast radiationless decay mechanisms through conical intersections in cytosine: Computational insight and topological analysis of the charge density distributions

R Hilala, SG Aziza, AO Alyoubia, SA Elrobya

Indian Journal of Chemistry 54, 27-34 (2015)

 

2014

57

Exploring the Conical Intersection Seam in Cytosine: A DFT and CASSCF Study

SG Aziz, SK Elroby, A Alyoubi, R Hilal

Procedia Computer Science 29, 1384-1391 (2014)

58

Origin of the Extra Stability of Alloxan. A Computation Study

BH Allehyani, SAK Elroby, SG Aziz, RH Hilal

Procedia Computer Science 29, 1366-1375 (2014)

59

Impact of Electron Delocalization on the Nature of the Charge-Transfer States in Model Pentacene/C60 Interfaces: A Density Functional Theory Study

B Yang, Y Yi, CR Zhang, SG Aziz, V Coropceanu, JL Brédas

The Journal of Physical Chemistry C 118 (48), 27648-27656 (2014)

60

Hydrogen bonding of the naphthalene radical cation to water and methanol and attachment of the naphthalene ion to extended hydrogen bonding chains

IK Attah, SP Platt, M Meot-Ner, MS El-Shall, SG Aziz, AO Alyoubi

Chemical Physics Letters 613, 45-53 (2014)

61

Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: a brief review

YT Fu, YP Yi, V Coropceanu, C Risko, SG Aziz, JL Brédas

Science China Chemistry 57 (10), 1330-1339 (2014)

62

Influence of Molecular Shape on Solid-State Packing in Disordered PC61BM and PC71BM Fullerenes

M Williams, NR Tummala, SG Aziz, C Risko, JL Brédas

The journal of physical chemistry letters 5 (19), 3427-3433 (2014)

63

Evidence for the Formation of Pyrimidine Cations from the Sequential Reactions of Hydrogen Cyanide with the Acetylene Radical Cation

AM Hamid, PP Bera, TJ Lee, SG Aziz, AO Alyoubi, MS El-Shall

The journal of physical chemistry letters 5 (19), 3392-3398 (2014)

64

Unconventional hydrogen bonding to organic ions in the gas phase: Stepwise association of hydrogen cyanide with the pyridine and pyrimidine radical cations and protonated pyridine

AM Hamid, MS El-Shall, R Hilal, S Elroby, SG Aziz

The Journal of chemical physics 141 (5), 054305 (2014)

65

Does Prop-2-ynylideneamine, HC≡ CCH= NH, Exist in Space? A Theoretical and Computational Investigation

OI Osman, SA Elroby, SG Aziz, RH Hilal

International journal of molecular sciences 15 (6), 11064-11081 (2014)

66

Interfaces: Structure and Disorder in Squaraine–C60 Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor–Acceptor Interface (Adv. Funct. Mater. 24/2014)

YT Fu, DA da Silva Filho, G Sini, AM Asiri, SG Aziz, C Risko, JL Brédas

Advanced Functional Materials 24 (24), 3653-3653 (2014)

67

Molecular design of donor-acceptor dyes for efficient dye-sensitized solar cells I: a DFT study

RM El-Shishtawy, AM Asiri, SG Aziz, SAK Elroby

Journal of molecular modeling 20 (6), 1-9 (2014)

68

Structure and disorder in squaraine–C60 organic solar cells: a theoretical description of molecular packing and electronic coupling at the donor–acceptor interface

YT Fu, DA da Silva Filho, G Sini, AM Asiri, SG Aziz, C Risko, JL Brédas

Advanced Functional Materials 24 (24), 3790-3798 (2014)

69

Theoretical study of the local and charge-transfer excitations in model complexes of pentacene-C60 using tuned range-separated hybrid functionals

CR Zhang, JS Sears, B Yang, SG Aziz, V Coropceanu, JL Bre?das

Journal of Chemical Theory and Computation 10 (6), 2379-2388 (2014)

70

How soil organic matter composition controls hexachlorobenzene–soil-interactions: Adsorption isotherms and quantum chemical modeling

AA Ahmed, O Kühn, SG Aziz, RH Hilal, P Leinweber

Science of the Total Environment 476, 98-106 (2014)

71

Proton-bound dimers of nitrogen heterocyclic molecules: Substituent effects on the structures and binding energies of homodimers of diazine, triazine, and fluoropyridine

IK Attah, SP Platt, M Meot-Ner, MS El-Shall, SG Aziz, AO Alyoubi

The Journal of chemical physics 140 (11), 114313 (2014)

72

Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties

SG Aziz, SA Elroby, A Alyoubi, OI Osman, R Hilal

Journal of molecular modeling 20 (3), 1-15 (2014)

73

Ultrafast radiationless decay mechanisms through conical intersections in cytosine. A new semi-planar conical intersection

SG Aziza, WI Hassanb, SK Alroubya, A Alyoubia, R Hilala

Indian Journal of Chemistry 53, 143-151 (2014)

74

Theoretical and computational studies of conformation, natural bond orbital and nonlinear optical properties of cis-N-phenylbenzohydroxamic acid

SG Aziz, SAK Elroby, RH Hilal, OI Osman

Computational and Theoretical Chemistry 1028, 65-71 (2014)

75

Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor–acceptor conjugated polymers

IT Lima, C Risko, SG Aziz, DA da Silva Filho, JL Brédas

Journal of Materials Chemistry C 2 (42), 8873-8879 (2014)

76

Synthesis and optophysical properties of dimeric aza-BODIPY dyes with a push–pull benzodipyrrolidone core

Y Wang, L Chen, RM El-Shishtawy, SG Aziz, K Müllen

Chemical Communications 50 (78), 11540-11542 (2014)

 

2013

77

Theoretical Investigation of the Dispersion Interaction in Argon Dimer and Trimer

R Hilal, WMI Hassan, SAK Elroby, SG Aziz

Procedia Computer Science 18, 826-834 (2013)

78

Substituent effects on noncovalent bonds: complexes of ionized benzene derivatives with hydrogen cyanide

IK Attah, AM Hamid, M Meot-Ner, MS El-Shall, SG Aziz, AO Alyoubi

The Journal of Physical Chemistry A 117 (41), 10588-10597 (2013)

79

Hydration of the pyrimidine radical cation and stepwise solvation of protonated pyrimidine with water, methanol, and acetonitrile

AM Hamid, P Sharma, MS El-Shall, R Hilal, S Elroby, SG Aziz, AO Alyoubi

The Journal of chemical physics 139 (8), 084304 (2013)

80

Theoretical characterization of gas-phase thermolysis products of ethane-1, 2-diol, 2-chloroethanol and 2-fluoroethanol

OI Osman, SAK Elroby, RH Hilal, SG Aziz

Molecular Physics 111 (5), 643-659 (2013)

81

Electronic structure and decomposition reaction mechanism of cyclopropenone, phenylcylopropenone and their sulfur analogues: a theoretical study

SAK Elroby, SG Aziz, R Hilal

Journal of molecular modeling 19 (3), 1339-1353 (2013)

82

Controlled synthesis of hierarchical graphene-wrapped TiO 2@ Co 3 O 4 coaxial nanobelt arrays for high-performance lithium storage

Y Luo, J Luo, W Zhou, X Qi, H Zhang, YW Denis, CM Li, HJ Fan, T Yu

Journal of Materials Chemistry A 1 (2), 273-281 (2013)

83

Low temperature atomic layer deposition of highly photoactive hematite using iron (III) chloride and water

JA Klug, NG Becker, SC Riha, ABF Martinson, JW Elam, MJ Pellin, ...

Journal of Materials Chemistry A 1 (38), 11607-11613 (2013)

84

Intermolecular interaction in the benzene-Arn and benzene dimer van der Waals complexes: DFT analysis of the charge distribution and electric response properties

R Hilala, WMI Hassanb, A Alyoubia, SG Aziza, SAK Elrobya

Indian Journal of Chemistry 52, 19-27 (2013)

 

2012

85

Eclipsed Acetaldehyde as a Precursor for Producing Vinyl Alcohol

OI Osman, AO Alyoubi, SAK Elroby, RH Hilal, SG Aziz

International journal of molecular sciences 13 (11), 15360-15372 (2012)

86

Effects of protonation and deprotonation on the reactivity of quinolone: A theoretical study

AKE Shabaan, AE Hassan, GA Saadullah

Chinese Science Bulletin 57 (14), 1665-1671 (2012)

 

2011

87

Understanding the decomposition reaction mechanism of chrysanthemic acid: a computational study

SAK Elroby, SG Aziz

Chemistry Central Journal 5 (1), 66 (2011)

88

Theoretical investigation of the photochemical reaction mechanism of cyclopropenone decarbonylation

SAK Elroby, OI Osman, SG Aziz

Molecular Physics 109 (14), 1785-1795 (2011)

 

Before 2011

89

Sequential in situ STM imaging of electrodissolving copper in different aqueous acid solutions

ME Vela, G Andreasen, SG Aziz, RC Salvarezza, AJ Arvia

Electrochimica acta 43 (1), 3-12 (1998)

90

Investigation of the electronic structure of catecholamine neurotransmitters. III. Quantitative analysis of the FT-IR spectra

ARA Samarkandy, SG Aziz, AO Alyoubi, R Hilal

EGYPTIAN JOURNAL OF PHARMACEUTICAL SCIENCES 39 (1/3), 133-146 (1998)

91

Investigation of the electronic structure of catecholamine neurotransmitters. IV. Nuclear magnetic resonance characteristics

AR Samarkandy, AO Alyoubi, SG Aziz, S Al-Thabaiti, R Hilal

EGYPTIAN JOURNAL OF PHARMACEUTICAL SCIENCES 39 (1/3), 147-158 (1998)

92

Sequential in situ STM imaging of electrodissolving copper single-crystal domains in aqueous perchloric acid: Kinetics and mechanism of the interface evolution

SG Aziz, ME Vela, G Andreasen, RC Salvarezza, A Hernández-Creus, ...

Physical Review B 56 (7), 4166 (1997)

93

Studies on the Kinetics of Aluminium Metal Dissolution in Aggressive Acid Media Containing Inorganic Anions

SG Aziz, AA El-Awady, BA Abd-El-Nabey

JKAU 9, 101 (1997)

94

INHIBITIVE ACTION OF N-METHYL DIPYRIDINIUM IODIDE ON THE CORROSION OF ZINCIN HCL

SG Aziz, AY Obaid, AO Alyoubi, AA Abdel Fattah

Corrosion prevention & control 44 (6), 179-182 (1997)

95

A Molecular Orbital Treatment of the Electronic Structure and Spectra of Aryl Nitrones

S Gary

Science 7 (1) (1995)

96

Thermodynamic and kinetic factors in chloride ion pitting and nitrogen donor ligand inhibition of aluminium metal corrosion in aggressive acid media

AA El-Awady, BA Abd-El-Nabey, SG Aziz

J. Chem. Soc., Faraday Trans. 89 (5), 795-802 (1993)

97

Kinetic?thermodynamic and adsorption isotherms analyses for the inhibition of the acid corrosion of steel by cyclic and open?chain amines

AA El?Awady, BA Abd?El?Nabey, SG Aziz

Journal of the Electrochemical Society 139 (8), 2149-2154 (1992)

98

Structural Effects and Mechanism of the Inhibition of Acid Corrosion of Steel by Some dithiocarbamate derivatives.

S Gary

Corrosion Prevention & Control 38 (3) (1991)

99

Kinetics and Thermodynamics of the Inhibition of the Acid Corrosion of Steel by Some Macrocyclic ligands

AA El-Awady, BA Abd-El-Nabey, SG Aziz, M Khalifa, HA Al-Ghamedy

International J. Chem 1 (4), 169-179 (1990)

100

The production and spectroscopic identification of bromothioborine, BrB? S from the thermolysis of 2, 4, 6-Trisbromo-cyclo-1, 3, 5-trithia-2, 4, 6-triborane,(BrBS) 3

SG Aziz, T Porwol, JD Watts, RJ Suffolk

Inorganica chimica acta 146 (2), 167-171 (1988)

101

On the Electronic Structure of Azolides. Part II: Electronic Absorption Spectra of N-Acylimidazoles. A MO Approach to Cross-and Linear Conjugation

R Hilal, S Basahel, S Aziz

Applied spectroscopy 40 (4), 556-562 (1986)

 

 

 

الاهتمامات العلمية

المواد والمحاضرات

مجالات الخبرة