Publications

Google Scholar Citations: 1852; h-index=23;  g-index=31;  authors/paper = 2.67

A. Peer Reviewed Journal Publications

1) Constantinos D. Zeinalipour-Yazdi, Study of the Structure of Monoatomic Adsorbates on Metal Surfaces Using the Sphere-in-Contact Model, Surfaces, 2025, in preparation.

2) Numair Elahi, Constantinos D. Zeinalipour-Yazdi, Advances in the Synthesis of Carbon Nanomaterials and their Application in Medicine,C–Journal of Carbon Research, 11(2), 35, 2025 https://doi.org/10.3390/c11020035 

3) T. Chai, D. P. Pullman, D. Gater, J. Kneller, Constantinos D. Zeinalipour-Yazdi, 3D Printed Sphere-in-Contact Models of Carbon Materials, Journal of Chemical Education, 2025, under review.

4) N. Elahi, Constantinos D. Zeinalipour-Yazdi, A DFT Assessment of the Activation Barrier for Concerted Proton Transfer in Cyclic Water Clusters (H2O)n where n = 3-8, Computational and Theoretical Chemistry, 1244, 115061 2025

https://doi.org/10.1016/j.comptc.2024.115061.

5) Constantinos D. Zeinalipour-Yazdi, A study using physical sphere-in-contact models to investigate the structure of close-packed nanoparticles supported on flat hexagonal, square and trigonal lattices, Chemical Physics, 588, 2025, 112464.

6)    Zahra Jafari, Elham Safaei, Andrzej Wojtczak, Constantinos D Zeinalipour-Yazdi, Bojan Kozlevčar, Zvonko Jagličić, Synthesis and characterization of catalytically active Ni (II) complexes with Bis (phenol) diamine ligands, Inorganica Chimica Acta, 122353, 2025

7) Numair Elahi, Constantinos D Zeinalipour-Yazdi, Recent Advances in Ammonia Synthesis Modeling and Experiments on Metal Nitrides and Other Catalytic Surfaces, Crystals, 14 (9), 818, 2024.

8) Nektaria Georgopoulou, Ita Necitailaite, Constantinos D Zeinalipour-Yazdi, Dimitrios Palles, George Mousdis, Christos Garoufalis, Sarantos Marinakis, Journal of Engineering Science and Technology Review, 2024, 17(5), 1-7.

9) Zeinalipour-Yazdi, C. D. A Comparison of the Mechanisms and Activation Barriers for Ammonia Synthesis on Metal Nitrides (Ta3N5, Mn6N5, Fe3Mo3N, Co3Mo3N) Crystals 14 (5), 392, 2024.

10) Zeinalipour-Yazdi, C. D., A computational study of H-bonded networks in cyclic water clusters,(H2O) n (n= 3–12), Journal of Molecular Modeling 30 (3), 1-11,  2024.

11) P Mohammadpour, E Safaei, CD Zeinalipour-Yazdi, Silica Nanoparticles and Kaolin Clay Decorated with VO2+ in Aerobic Oxidative Destruction of BTEX Contaminants, Physical Chemistry Chemical Physics, 2024, https://doi.org/10.1039/D3CP04218A

12) Samia Al Sobhi, Ihfaf AlShibane, C. Richard A. Catlow, Angela Daisley, Justin S. J. Hargreaves, Andrew L. Hector, Michael D. Higham, Constantinos D. Zeinalipour-Yazdi, A Comparison of the Reactivity of the Lattice Nitrogen in Tungsten Substituted Co3Mo3N and Ni2Mo3N, ChemSusChem, 16, 2023 https://doi.org/10.1002/cssc.202300945

13) Zeinalipour-Yazdi, C. D., David P. Pullman, Miniature physical sphere-in-contact models of heterogeneous catalysts and metal nanoparticles, 29, 312, (2023) Journal of Molecular Modeling 19 (312), 2023 https://doi.org/10.1007/s00894-023-05721-2

14) Pegah Mohammadpour,  Elham Safaei, Elham Mazarei  and  Constantinos D. Zeinalipour-Yazdi, TEMPO and a co-reductant mediated aerobic epoxidation of olefins using a new magnetically recoverable iron(iii) bis(phenol)diamine complex: experimental and computational studies, Phys. Chem. Chem. Phys. 25, 26588-26603, 2023  https://doi.org/10.1039/D3CP02254D

15) Michael Higham, Constantinos D. Zeinalipour-Yazdi, Justin S. J. Hargreaves, C. Richard A. Catlow, Mechanism of ammonia synthesis on Fe3Mo3N, Faraday discussions, 2023  https://doi.org/10.1039/D2FD00148A

16) Zeinalipour-Yazdi, C. D., A DFT study of the Interaction of Aspirin, Paracetamol and Caffeine with One Water Molecule, Journal of Molecular Modeling 2022, 28(9), 285.

17) Jasinski, S. C., Zeinalipour-Yazdi, C. D., On the Formation Enthalpies and Bandgaps of Linear, Cyclic and Cubic Neutral Sodium Chloride Clusters (NaCl)n, n = 2, 3, 4, 5, 6, 10, Materials Today Communications, 2022, 31, 103733. https://doi.org/10.1016/j.mtcomm.2022.103733

18) Zeinalipour-Yazdi, C. D., Topology of active site geometries in HCP and FCC nanoparticles and surfaces, Chem. Phys., 2022, 559, 111532.

19) Constantinos D. Zeinalipour-­Yazdi, Justin S. J. Hargreaves, Said Laassiri, C. Richard A. Catlow, A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using DFT, R. Soc. Open Sci., 2021 8, 210952. https://doi.org/10.1098/rsos.210952

20) Zeinalipour-Yazdi C. D., Eriketi Z. Loizidou, An experimental FTIR-ATR and computational study H-bonding in ethanol/water mixtures, Chem. Phys., 2021, 111295. https://doi.org/10.1016/j.chemphys.2021.111295

21) Megha Anand, Andrew M. Beale, Mercedes Boronat, M. Bowker, Aram L. Bugaev, Valerii I. Bukhtiyarov, C. Richard A. Catlow, Sarayute Chansai, Michael Claeys, Matthew Conway, Philip R. Davies, Jennifer Edwards, Joseph El-Kadi, Dmitry Eremin, Nico Fischer, Shaoliang Guan, Justin S. J. Hargreaves, Christian Hess, Graham J. Hutchings, Froze Jameel, Ali Kamali, Simon Kondrat, Naomi Lawes, David Lennon, Diyuan Li, Patrick Morgan, Andrea M. Oyarz´un Aravena, Christian Reece, Romain R´eocreux, Peter Seavill, Yasushi Sekine, Mzamo Shozi, Ian Silverwood, Mikhail Sinev, Collin Smith, Michail Stamatakis, Laura Torrente Murciano, Deniz Uner, Bert M. Weckhuysen, Keith Whiston, Moritz Wolf, Bo Yang and Constantinos D. Zeinalipour-Yazdi, Advanced Approaches: general discussion, Faraday Discussion, 2021 https://doi.org/10.1039/D1FD90032C

22) Zeinalipour-Yazdi, C. D., Mechanistic aspects of ammonia synthesis on Ta3N5 surfaces in the presence of intrinsic nitrogen vacancies, Phys. Chem. Chem. Phys., 2021, 23, 6959 - 6963. DOI: 10.1039/D1CP00275A

23) Zeinalipour-Yazdi, C. D.; Lam, K.; Correlation of vertical ionization energies and partial charges on acetaldehyde and methyl formate radicals in various solvents, Chemical Physics Letters, 746, 137311, 2020. https://doi.org/10.1016/j.cplett.2020.137311

24) Laissiri, S; Zeinalipour-Yazdi, C. D.; Bion, N.; Catlow, C. R. A.; Hargreaves, J. S. J.; Combination of theoretical and in-situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis Faraday Discussion, 2020, accepted. https://doi.org/10.1039/C9FD00131J

25) Zeinalipour-Yazdi, C. D. and Catlow, C. R. A.; An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid, Phys. Chem. Chem. Phys, 2019, 21, 22331 - 22343. DOI: 10.1039/C9CP02968K

26) Zeinalipour-Yazdi, C. D. Mechanisms of ammonia and hydrazine synthesis over Mn3N2-(100) surfaces, Phys. Chem. Chem. Phys., 2019, 21, 19365 - 19377. 10.1039/C9CP03934A

27) Zeinalipour-Yazdi, C. D. and Pullman, D. P.; Study of Rhombohedral Graphite X-Ray Filter using the Sphere-in-Contact model, Chem. Phys. Lett., 2019, 734, 136717.

28) Zeinalipour-Yazdi C. D., Eriketi Z. Loizidou, Arunabhiram Chutia, Size-Dependent Bond Dissociation Enthalpies in Single-Walled Carbon Nanotubes, Chem. Phys. Lett., 2019, 731, 136628.

29) Zeinalipour-Yazdi, C. D. and Eriketi Z. Loizidou, Corrigendum to “Study of the cap structure of (3,3), (4,4) and (5,5)-SWCNTs: Application of the sphere-in-contact model” [Carbon 115 (2017) 819–827], Carbon, 2019, 146, 369-370

30) Resolving the Structure Selectivity of Supported Pd nanoparticles for Catalytic NH3 Oxidation (NH3-SCO) using Operando Spectroscopy, Ellie K. Dann, Emma K. Gibson, Rachel H. Blackmore, C. Richard A. Catlow, Arun Chutia, C. D. Zeinalipour-Yazdi, Paul Collier, Tugce Eralp Erden, Christopher Hardacre, Anna Kroner, Maarten Nachtegaal, Agnes Raj, Scott M. Rogers, Paul Thompson, George, F. Tierney, Alexandre Goguet and Peter P. Wells, Nature Catalysis, 2019, 2, 157-163

31) Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Laissiri, N.; Catlow, C. R. A.; The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides, Phys. Chem. Chem. Phys., 2018, 20, 21803 - 21808

32) Zeinalipour-Yazdi, C. D., On the possibility of an Eley-Rideal mechanism for ammonia synthesis on Mn6N5+x (x=1)-(111) surfaces, Phys. Chem. Chem. Phys., 2018, 20, 18729 - 18736.

33) Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Catlow, C. R. A.; Low-T Mechanism of Ammonia Synthesis on Co3Mo3N, J. Phys. Chem. C, 2018, 122, 6078–6082. (COVER ARTICLE)

34) Zeinalipour-Yazdi, C. D.; Catlow, C. R. A., A computational study of the heterogeneous synthesis of hydrazine on Co3Mo3N, Catalysis Letter, 2017, 147, 1820-1826.

35) Laassiri, S.; Zeinalipour-Yazdi, C. D.; Catlow, C. R. A.; Hargreaves, J. S. J. The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping. Applied Catalysis B: Environmental, 2017, 223, 60-66.

36) Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Laissiri, S; Catlow, C. R. A., DFT-D3 study of molecular N2 and H2 activation on Ta3N5 (100), (010) and (001) surfaces. Phys. Chem. Chem. Phys, 2017, 19, 11968-11974.

37) Zeinalipour-Yazdi, C. D.; Loizidou, E. Z., Study of the cap structure of (3,3), (4,4) and (5,5)-SWCNTs: Application of the sphere-in-contact model, Carbon, 2017, 115, 819-827.

38) Zeinalipour-Yazdi, C. D., DFT study of the coverage-dependent chemisorption of molecular H2 on neutral cobalt dimers, Surface Science, 2016, 656, 54-59.

39) Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Catlow, C. R. A., DFT-D3 study of molecular N2 and H2 activation on Co3Mo3N surfaces. The Journal of Physical Chemistry C, 2016, 120, 21390–21398.

40) Laassiri, S., Zeinalipour-Yazdi, C.D., Catlow, C.R.A., Hargreaves, J.S.J., Nitrogen transfer properties in tantalum nitride based materials, Catalysis Today, 2016, 286, 147-154.

41) Zeinalipour-Yazdi, C.D.; Pullman, D.P.; Catlow, C.R.A., The sphere-in-contact model for carbon materials. Journal of Molecular Modelling 2016, 22, 40.

42) Zeinalipour-Yazdi, C. D.; Willock, D. J.; Thomas, L.; Wilson, K.; Lee, A. F., CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles. Surface Science 2016, 646, 210-220.

43) Zeinalipour-Yazdi, C. D.; Hargreaves, J. S. J.; Catlow, C. R. A., Nitrogen Activation in a Mars–van Krevelen Mechanism for Ammonia Synthesis on Co3Mo3N. The Journal of Physical Chemistry C, 2015, 119, 28368-28376. (COVER ARTICLE)

44) Zeinalipour-Yazdi, C. D.; Willock, D. J.; Machado, A.; Wilson, K.; Lee, A. F., Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study. Phys. Chem. Chem. Phys. 2014, 16, 11236-11244. (INSIDE COVER ARTICLE)

45) Loizidou, E. Z.; Zeinalipour-Yazdi, C. D., Computational Inhibition Studies of the Human Proteasome by Argyrin-Based Analogues with Subunit Specificity. Chemical Biology & Drug Design 2014, 84, 99-107.

46) Zeinalipour-Yazdi, C. D.; van Santen, R. A., Coverage-Dependent Adsorption Energy of Carbon Monoxide on a Rhodium Nanocluster. Journal of Physical Chemistry C 2012, 116, 8721-8730.

47) Loizidou, E. Z.; Sun, L.; Zeinalipour-Yazdi, C. D., Receptor-attached amphiphilic terpolymer for selective drug recognition in aqueous solutions. Journal of molecular recognition : JMR 2011, 24, 678-86.

48) Zeinalipour-Yazdi, C. D.; van Santen, R. A., Kinetic Rates and Linear Free Energy Relationships for Water Dissociation on Transition and Noble Metal Dimers. Journal of Physical Chemistry A 2009, 113, 6971-6978.

49) Zeinalipour-Yazdi, C. D.; Pullman, D. P., Quantitative Structure-Property Relationships for Longitudinal, Transverse, and Molecular Static Polarizabilities in Polyynes (vol 112, pg 7377, 2008). Journal of Physical Chemistry B 2009, 113, 9628-9628.

50) Zeinalipour-Yazdi, C. D.; Christofides, C., Linear correlation between binding energy and Young’s modulus in graphene nanoribbons. Journal of Applied Physics 2009, 106, 054318-054323.

51) Loizidou, E. Z.; Zeinalipour-Yazdi, C. D.; Christofides, T.; Kostrikis, L. G., Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance. Bioorganic & Medicinal Chemistry 2009, 17, 4806-4818.

52) Loizidou, E. Z.; Kousiappa, I.; Zeinalipour-Yazdi, C. D.; Van de Vijver, D. A. M. C.; Kostrikis, L. G., Implications of HIV-1 M Group Polymorphisms on Integrase Inhibitor Efficacy and Resistance: Genetic and Structural in Silico Analyses. Biochemistry 2009, 48, 4-6.

53) Zeinalipour-Yazdi, C. D.; Pullman, D. P., Quantitative structure - Property relationships for longitudinal, transverse, and molecular static polarizabilities in polyynes. Journal of Physical Chemistry B 2008, 112, 7377-7386.

54) Zeinalipour-Yazdi, C. D.; Pullman, D. P., A new interpretation of the scanning tunneling microscope image of graphite. Chemical Physics 2008, 348, 233-236.

55) Zeinalipour-Yazdi, C. D.; Efstathiou, A. M., Preadsorbed Water-Promoted Mechanism of the Water-Gas Shift Reaction. Journal of Physical Chemistry C 2008, 112, 19030-19039.

56) Zeinalipour-Yazdi, C. D.; Cooksy, A. L.; Efstathiou, A. M., CO adsorption on transition metal clusters: Trends from density functional theory. Surface Science 2008, 602, 1858-1862.

57) Loizidou, E. Z.; Kousiappa, I.; Zeinalipour-Yazdi, C. D.; Van de Vijver, D. A. M. C.; Kostrikis, L. G., Implications of HIV-1 M Group Polymorphisms on Integrase Inhibitor Efficacy and Resistance: Genetic and Structural in Silico Analyses†. Biochemistry 2008, 48, 4-6.

58) Grotjahn, D. B.; Kragulj, E. J.; Zeinalipour-Yazdi, C. D.; Miranda-Soto, V.; Lev, D. A.; Cooksy, A. L., Finding the proton in a key intermediate of anti-Markovnikov alkyne hydration by a bifunctional catalyst. Journal of the American Chemical Society 2008, 130, 10860-10861.

59) Zeinalipour-Yazdi, C. D.; Cooksy, A. L.; Efstathiou, A. M., A diffuse reflectance infrared Fourier-transform spectra and density functional theory study of CO adsorption on Rh/gamma-Al2O3. Journal of Physical Chemistry C 2007, 111, 13872-13878.

60) Olympiou, G. G.; Kalamaras, C. M.; Zeinalipour-Yazdi, C. D.; Efstathiou, A. M., Mechanistic aspects of the water-gas shift reaction on alumina-supported noble metal catalysts: In situ DRIFTS and SSITKA-mass spectrometry studies. Catalysis Today 2007, 127, 304-318.

61) Zeinalipour-Yazdi, C. D.; Pullman, D. P., Correlation of polarizabilities with Van Der Waals interactions in pi-systems. Journal of Physical Chemistry B 2006, 110, 24260-24265.

62) Loizidou, E.; Zeinalipour-Yazdi, C.; Sun, L. F., Artificial receptor-attached amphiphilic copolymer for barbiturate binding in aqueous media. Biomacromolecules 2004, 5, 1647-1652.

B.  Thesis, Chapters in Books, Books and Preprints

63) Constantinos D. Zeinalipour-Yazdi, Book: My journey in science and art, KDP publishing, 19 May 2024, 176 pages, ISBN: 979-8893797428

64) Jasinski Samantha and Zeinalipour-Yazdi, Constantinos, A molecular mechanics (MMFF94s) study of NaCl clusters and their solvation in water (May 18, 2022). Available at SSRN: https://ssrn.com/abstract=4113177 or http://dx.doi.org/10.2139/ssrn.4113177

65) Deodhar, Prajakta and Zeinalipour-Yazdi, Constantinos, Computational Inhibition Studies of the Human Proteasome by Apigenin-7-methyl ether and its Triazole Analogues with Subunit Specificity to the β1, β2 and β5 Catalytic Sites (March 13, 2021). Available at SSRN: https://ssrn.com/abstract=3947944 or http://dx.doi.org/10.2139/ssrn.3947944

66) CD Zeinalipour-Yazdi, “Computational study of reaction mechanisms on nanocatalysts to allow precise control of catalytic activity and selectivity” Molecular Science Computing: 2010 Greenbook, 6-page white paper contribution, EMSL, USA, 2010

67) CD Zeinalipour-Yazdi, “Structure and Symmetry of Graphite” Essentials in Nanotechnology Booklet series, CRC Press/Taylor & Francis Group, Boca Raton, FL, USA, 1-13, 2008

68) CD Zeinalipour-Yazdi, “Electronic structure and interlayer binding energy of graphite”, University of California, San Diego and San Diego State University, San Diego, Digital Dissertations, 1-183, 2006 (PhD Thesis)

C. Conference Proceedings (only major)

69) Justin Hargreaves, Angela Daisley, Richard Catlow, Michael Higham, Andrew Hector, Constantinos Zeinalipour-Yazdi, Ihfaf Alshibane, Samia Alshobi,  Comparison of the lattice nitrogen reactivity of ternary and quaternary metal nitrides, ACS meeting, 21 August 2024.

70) Said Laassiri, Constantinos D. Zeinalipour-Yazdi, Nicolas Bion, Richard A. Catlow and Justin S. J. Hargreaves, The 9th Tokyo Conference on Advanced Catalytic Science and Technology, Fukuoka,  Japan, 24-29 July, 2021.

71) Said Laassiri, Constantinos D. Zeinalipour-Yazdi, Nicolas Bion, Richard A. Catlow and Justin S. J. Hargreaves Combination of theoretical and in situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis. Reaction Mechanisms in Catalysis, Feb. 17-19 2021, London.

72) Constantinos D. Zeinalipour-Yazdi, Eriketi Z. Loizidou, Arunabhiram Chutia, Quantum Size Effect in Bond Dissociation Enthalpies in Single-Walled Carbon Nanotubes, [COLL] Nanomaterials, 24-29 August 2019 Fall ACS National Meeting in San Diego, CA.

73) Duncan Allardyce, Monika Szalecka, Robert Nkwo, Samia Asvid, Constantinos D. ZeinalipourYazdi, Erika Loizidou, Identification of a new class of proteasome inhibitors based on a naphthylcarbonyl-phenyl urea scaffold, [MEDI] 24-29 August 2019 Fall ACS National Meeting in San Diego, CA.

74) C.D. Zeinalipour-Yazdi, J.S.J. Hargreaves, C.R.A. Catlow, Study of the Mars – van Krevelen Mechanism for Ammonia Synthesis on Co3Mo3N (111)-surfaces, 251 National American Chemical Society meeting, San Diego, March 13-17, 2016

75) J.S. Hargreaves, A. McFarlane, C.A. Catlow, C.D. Zeinalipour-Yazdi, W.R. Flavell, M. Leontiadou, H. Radtke, Lattice nitrogen reactivity in Co3Mo3N catalysts – understanding the role of surface structure and composition through application of depth resolved XPS and computational modelling, 251 National American Chemical Society meeting, San Diego, Mar. 13-17, 2016

76) C.D. Zeinalipour-Yazdi, J.S.J. Hargreaves, C.R.A. Catlow, Ammonia Synthesis via Mars - Van Krevelen Mechanism: Adsorption and Activation of N2 on Co3Mo3N, UK Catalysis Conference 2016, Loughborough, Jan 6-8, 2016

77) S. Laassiri, C.D. Zeinalipour-Yazdi, C.R.A. Catlow, J.S.J. Hargreaves, Reactivity of lattice nitrogen in tantalum nitride materials, UK Catalysis Conference 2016, Loughborough, Jan 6-8, 2016

78) S. Laassiri, C.D. ‎D. Zeinalipour-Yazdi, C.R.A. Catlow, J.S.J. Hargreaves, Ammonia Synthesis: Development of Novel Heterogeneous Catalysts Operating Via Mars-Van Krevelen Type Mechanisms, AIChE Annual Meeting, Salt Lake City, USA, November 8-13, 2015

79) C.D. Zeinalipour-Yazdi and C.R.A. Catlow, Enhancement of thin film magnetic properties by nitrogen-removal from Co3Mo3N and Fe3Mo3N (111)-terminated surfaces, 12th Materials Chemistry Conference, York, UK 2015

80) A.F. Lee, Christopher M.A. Parlett, K. Wilson, C.D. Zeinalipour-Yazdi, D.J. Willock. CATL 111: Rational design of heterogeneous catalysts for the selective aerobic oxidation of alcohols, 248 National American Chemical Society Meeting, San Francisco, 2014

81) C.D. Zeinalipour-Yazdi, D.J. Willock, K. Wilson, A. Machado, Mechanistic studies of the selective oxidation of crotyl alcohol to crotonaldehyde on bare and oxidised gold nanoparticles, 247 National American Chemical Society Meeting, 16-20 Mar 2014, Dallas, TX, USA 2014 Abstracts of Papers of the American Chemical Society, 229, U676-U676, 2005

82) Eriketi Z. Loizidou, C.D. Zeinalipour-Yazdi, Design of argyrin analogues as proteasome inhibitors with subunit specificity. 247th American Chemical Society Meeting, 16-20 Mar 2014, Dallas, TX, USA 2014

83) C.D. Zeinalipour-Yazdi, D.J. Willock, K. Wilson, A. Machado, L.M. Thomas, S.W. Hoh and A.F. Lee, “Oxygen-promoted crotyl alcohol selective oxidation over Au nanoparticles: a computational study” International Materials Chemistry Conference (MC11), University of Warwick, UK, July 8-11, 2013

84) C.D. Zeinalipour-Yazdi, “A theoretical model for the coverage-dependent adsorption energy of CO on rhodium nanoclusters as a function of coverage” 11th Chemistry Conference between Cyprus and Greece, Limassol, Cyprus, Oct 26-30, 2011

85) C.D. Zeinalipour -Yazdi, A.M.  Efstathiou, “New Insights of the Water-Gas Shift Reaction Mechanism on a Rh Cluster”, European Congress on Catalysis –IX (EUROPACAT-IX), Salamanca, Spain, 30 Aug. - 4 Sept., 2009

86) C.D. Zeinalipour-Yazdi, C.M. Kalamaras, A.M.  Efstathiou, “Infrared and ab initio study of carbon monoxide chemisorption on rhodium clusters”, 9th Greece-Cyprus Chemistry Conference, Larnaca, Cyprus, April 27-30, 2007

87) C.M. Kalamaras, G.G. Olympiou, C.D. Zeinalipour-Yazdi, A.M. Efstathiou, “Operando DRIFTS-Mass Spectroscopy Studies of the Water-Gas Shift Reaction over Alumina-supported Noble Metal Catalysts”, European Congress on Catalysis (EUROPACAT-VIII), Turku, Finland, August 26-31, 2007

88) C.D. Zeinalipour-Yazdi, D.P. Pullman, “Correlation of polarizabilities with Van der Waals interactions in π-systems”, The 40th West. Reg. Am. Chem. Soc. Meeting: 303-COMP, Anaheim, CA, January 22-25, 2006

89) Zeinalipour-Yazdi, C.; Pullman, D. P.; Peterson, K. I., Origin of contrast in STM images of Graphite. Abstracts of Papers of the American Chemical Society 2005, 229, U702-U702.

90) Zeinalipour-Yazdi, C.; Loizidou, E.; Pullman, D. P., Second-order perturbational study of the transformation of hexagonal to rhombohedral graphite. Abstracts of Papers of the American Chemical Society, 229, U676-U676, 2005

91) Zeinalipour-Yazdi, C.; Gonzalez, J.; Peterson, K. I.; Pullman, D.P., On the interpretation of graphite images obtained by STM. Abstracts of Papers of the American Chemical Society, 226, U377-U377, 2003

D. Technical Reports

92) Business Plan Competition, Cyprus Entrepreneurship Competition 2012, C.D. Zeinalipour-Yazdi and Eriketi Z. Loizidou, “A portable solar-UV disinfection apparatus for aqueous fluids”, CySilicoTech Research Ltd, p. 1-73, 2012

93) Technical Research Report, C.D. Zeinalipour-Yazdi, “Multiscale simulations for the development of a reverse combustion catalyst for power plants”, CySilicoTech Research Ltd, p. 1-31, 2012

94) Technical Research Report, C.D. Zeinalipour-Yazdi, “Computational study of graphene-based materials for ultracapacitors and photovoltaics”, CySilicoTech Research Ltd, p. 1-43, 2012

95) Technical Research Report, C.D. Zeinalipour-Yazdi, “A prototype for water filtration and disinfection using solar-UV”, CySilicoTech Research Ltd, p. 1-20, 2012

96) Technical Research Report, C.D. Zeinalipour-Yazdi, “Innovative Green coatings for aluminium façade building materials”, CySilicoTech Research Ltd, p. 1-45, 2012

97) Technical Research Report, C.D. Zeinalipour-Yazdi, “A portable solar-energy water disinfection device”, Center of Idea Registration, Netherlands, CySilicoTech Research Ltd, p. 1-5, 2012

98) Technical Research Report, C.D. Zeinalipour-Yazdi, “Electronic and Spectroscopic properties of graphene-based materials for photovoltaic applications” CySilicoTech Research Ltd, p. 1-16, 2010.

99) Final Project Report, C.D. Zeinalipour-Yazdi, Angelos M. Efstathiou,  “Theoretical and Experimental investigation of the Water-Gas Shift reaction” ΠΕΝΕΚ ΕΝΙΣΧ/0506/62, p. 61-100, 2009

100)       Mid-term Project Report, C.D. Zeinalipour-Yazdi, Angelos M. Efstathiou,  “Theoretical and Experimental investigation of the Water-Gas Shift reaction” ΠΕΝΕΚ ΕΝΙΣΧ/0506/62, p. 1-60, 2008

101)       Technical Research Report, Report 4.1, Maria Vittoria Prati, Maria Antonietta Costagliola, Mario Bonfantini, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on calibrated instruments/sensors platform operation” EU community initiative programme Interreg III B Archimed, p.1-30, 2008

102)       Technical Research Report, Report 5.1, Maria Vittoria Prati, Fabio Murena, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on the operation of the mobile laboratory for the monitoring of the air pollution in Naples” EU community initiative programme Interreg III B Archimed, p.1-28, 2008

103)       Technical Research Report, Report 5.2, Maria Vittoria Prati, Maria Antonietta Costagliola, Mario Bonfantini, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on the operation of the mobile laboratory for the monitoring of the novel emission control system” EU community initiative programme Interreg III B Archimed, p.1-19, 2008

104)       Technical Research Report, Report 6.1, Maria Vittoria Prati, Maria Antonietta Costagliola, Mario Bonfantini, C.D. Zeinalipour-Yazdi and Apostolos Tsakis, “Report on the analyzed air pollution data acquired from the city of Naples” EU community initiative programme Interreg III B Archimed, p.1-35, 2008

105)       Technical Research Report, C.D. Zeinalipour-Yazdi, “Manual on commercial devices (stationary and mobile) for the measurement of atmospheric pollution”, Heterogeneous Catalysis Laboratory, University of Cyprus, p. 1-30, 2006

E. Patents

C.D. Zeinalipour-Yazdi, A portable solar-UV disinfection apparatus for aqueous fluids, US 61/671,505, 2012 (did not pursue)