Year |
Citation |
Score |
2023 |
Monti D, Patil N, Black AP, Raptis D, Mavrandonakis A, Froudakis GE, Yousef I, Goujon N, Mecerreyes D, Marcilla R, Ponrouch A. Polyimides as Promising Cathodes for Metal-Organic Batteries: A Comparison between Divalent (Ca, Mg) and Monovalent (Li, Na) Cations. Acs Applied Energy Materials. 6: 7250-7257. PMID 37448980 DOI: 10.1021/acsaem.3c00969 |
0.648 |
|
2023 |
Livas CG, Raptis D, Tylianakis E, Froudakis GE. Multiscale Theoretical Study of Sulfur Dioxide (SO) Adsorption in Metal-Organic Frameworks. Molecules (Basel, Switzerland). 28. PMID 37049885 DOI: 10.3390/molecules28073122 |
0.356 |
|
2022 |
Raptis D, Livas C, Stavroglou G, Giappa RM, Tylianakis E, Stergiannakos T, Froudakis GE. Surface Modification Strategy for Enhanced NO Capture in Metal-Organic Frameworks. Molecules (Basel, Switzerland). 27. PMID 35684386 DOI: 10.3390/molecules27113448 |
0.766 |
|
2022 |
Giappa RM, Papadopoulos AG, Klontzas E, Tylianakis E, Froudakis GE. Linker Functionalization Strategy for Water Adsorption in Metal-Organic Frameworks. Molecules (Basel, Switzerland). 27. PMID 35565965 DOI: 10.3390/molecules27092614 |
0.747 |
|
2020 |
Panagiotou N, Liatsou I, Pournara A, Angeli GK, Giappa RM, Tylianakis E, Manos MJ, Froudakis GE, Trikalitis PN, Pashalidis I, Tasiopoulos AJ. Water-stable 2-D Zr MOFs with exceptional UO22+ sorption capability Journal of Materials Chemistry A. 8: 1849-1857. DOI: 10.1039/C9Ta10701K |
0.723 |
|
2017 |
Kotzabasaki M, Galdadas I, Tylianakis E, Klontzas E, Cournia Z, Froudakis GE. Multiscale simulations reveal IRMOF-74-III as a potent drug carrier for gemcitabine delivery. Journal of Materials Chemistry. B. 5: 3277-3282. PMID 32264393 DOI: 10.1039/c7tb00220c |
0.752 |
|
2015 |
Kyzas GZ, Siafaka PI, Bikiaris DN, Koukaras EN, Froudakis GE. Alternative use of cross-linked polyallylamine (known as Sevelamer pharmaceutical compound) as biosorbent. Journal of Colloid and Interface Science. 442: 49-59. PMID 25514647 DOI: 10.1016/J.Jcis.2014.11.036 |
0.605 |
|
2015 |
Gotzias A, Tylianakis E, Froudakis G, Steriotis T. Adsorption in micro and mesoporous slit carbons with oxygen surface functionalities Microporous and Mesoporous Materials. 209: 141-149. DOI: 10.1016/J.Micromeso.2014.08.052 |
0.335 |
|
2014 |
Frysali MG, Klontzas E, Froudakis GE. Ab initio study of the adsorption of CO(2) on functionalized benzenes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 905-11. PMID 24615861 DOI: 10.1002/cphc.201300952 |
0.306 |
|
2014 |
Koukaras EN, Papadimitriou SA, Bikiaris DN, Froudakis GE. Properties and energetics for design and characterization of chitosan nanoparticles used for drug encapsulation Rsc Advances. 4: 12653. DOI: 10.1039/C3Ra47572G |
0.625 |
|
2014 |
Wang CY, Gray JL, Gong Q, Zhao Y, Li J, Klontzas E, Psofogiannakis G, Froudakis G, Lueking AD. Hydrogen storage with spectroscopic identification of chemisorption sites in Cu-TDPAT via spillover from a Pt/activated carbon catalyst Journal of Physical Chemistry C. 118: 26750-26763. DOI: 10.1021/Jp507395P |
0.345 |
|
2014 |
Koukaras EN, Montagnon T, Trikalitis P, Bikiaris D, Zdetsis AD, Froudakis GE. Toward Efficient Drug Delivery through Suitably Prepared Metal–Organic Frameworks: A First-Principles Study The Journal of Physical Chemistry C. 118: 8885-8890. DOI: 10.1021/Jp410282M |
0.75 |
|
2014 |
Tsoufis T, Ampoumogli A, Gournis D, Georgakilas V, Jankovic L, Christoforidis KC, Deligiannakis Y, Mavrandonakis A, Froudakis GE, Maccallini E, Rudolf P, Mateo-Alonso A, Prato M. Direct observation of spin-injection in tyrosinate-functionalized single-wall carbon nanotubes Carbon. 67: 424-433. DOI: 10.1016/J.Carbon.2013.10.014 |
0.684 |
|
2013 |
Gotzias A, Tylianakis E, Froudakis G, Steriotis T. Effect of surface functionalities on gas adsorption in microporous carbons: a grand canonical Monte Carlo study Adsorption. 19: 745-756. DOI: 10.1007/S10450-013-9507-6 |
0.376 |
|
2012 |
Koukaras EN, Papadimitriou SA, Bikiaris DN, Froudakis GE. Insight on the formation of chitosan nanoparticles through ionotropic gelation with tripolyphosphate. Molecular Pharmaceutics. 9: 2856-62. PMID 22845012 DOI: 10.1021/Mp300162J |
0.628 |
|
2012 |
Gotzias A, Tylianakis E, Froudakis G, Steriotis T. Theoretical study of hydrogen adsorption in oxygen functionalized carbon slit pores Microporous and Mesoporous Materials. 154: 38-44. DOI: 10.1016/J.Micromeso.2011.10.011 |
0.387 |
|
2011 |
Varshney V, Roy AK, Froudakis G, Farmer BL. Molecular dynamics simulations of thermal transport in porous nanotube network structures. Nanoscale. 3: 3679-84. PMID 21808788 DOI: 10.1039/C1Nr10331H |
0.327 |
|
2011 |
Koukaras EN, Zdetsis AD, Froudakis GE. Theoretical Study of Amino Acid Interaction with Metal Organic Frameworks The Journal of Physical Chemistry Letters. 2: 272-275. DOI: 10.1021/Jz101602P |
0.75 |
|
2009 |
Mavrandonakis A, Klontzas E, Tylianakis E, Froudakis GE. Enhancement of hydrogen adsorption in metal-organic frameworks by the incorporation of the sulfonate group and Li cations. A multiscale computational study. Journal of the American Chemical Society. 131: 13410-4. PMID 19754188 DOI: 10.1021/Ja9043888 |
0.726 |
|
2009 |
Vogiatzis KD, Mavrandonakis A, Klopper W, Froudakis GE. Ab initio study of the interactions between CO(2) and N-containing organic heterocycles. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 10: 374-83. PMID 19137564 DOI: 10.1002/Cphc.200800583 |
0.76 |
|
2009 |
Mavrandonakis A, Farantos SC, Froudakis G. Analytical Potential Functions Based on Force-Fields for Studying the Dynamics of Vibrationally Excited and Reactive Carbon Nanotubes Interacting with Aminoacids Journal of Computational and Theoretical Nanoscience. 6: 880-885. DOI: 10.1166/Jctn.2009.1121 |
0.703 |
|
2008 |
Mpourmpakis G, Froudakis GE. Assessing the density functional theory in the hydrogen storage problem. Journal of Nanoscience and Nanotechnology. 8: 3091-6. PMID 18681051 DOI: 10.1166/Jnn.2008.107 |
0.647 |
|
2008 |
Klontzas E, Mavrandonakis A, Tylianakis E, Froudakis GE. Improving hydrogen storage capacity of MOF by functionalization of the organic linker with lithium atoms. Nano Letters. 8: 1572-6. PMID 18494530 DOI: 10.1021/Nl072941G |
0.733 |
|
2008 |
Mavrandonakis A, Tylianakis E, Stubos AK, Froudakis GE. Why Li Doping in MOFs Enhances H2 Storage Capacity? A Multi-scale Theoretical Study The Journal of Physical Chemistry C. 112: 7290-7294. DOI: 10.1021/Jp7102098 |
0.724 |
|
2007 |
Mpourmpakis G, Tylianakis E, Froudakis GE. Carbon nanoscrolls: a promising material for hydrogen storage. Nano Letters. 7: 1893-7. PMID 17580924 DOI: 10.1021/Nl070530U |
0.651 |
|
2007 |
Mpourmpakis G, Froudakis GE, Lithoxoos GP, Samios J. Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation. The Journal of Chemical Physics. 126: 144704. PMID 17444729 DOI: 10.1063/1.2717170 |
0.627 |
|
2007 |
Klontzas E, Mavrandonakis A, Froudakis GE, Carissan Y, Klopper W. Molecular hydrogen interaction with IRMOF-1: A multiscale theoretical study Journal of Physical Chemistry C. 111: 13635-13640. DOI: 10.1021/Jp075420Q |
0.707 |
|
2007 |
Mpourmpakis G, Froudakis GE, Andriotis AN, Menon M. Enhancement of the Ionization-Potential of K and Rb upon Chemisorption on a C60Molecule The Journal of Physical Chemistry C. 111: 6593-6596. DOI: 10.1021/Jp0711040 |
0.607 |
|
2007 |
Mpourmpakis G, Froudakis GE. Why boron nitride nanotubes are preferable to carbon nanotubes for hydrogen storage?An ab initio theoretical study Catalysis Today. 120: 341-345. DOI: 10.1016/J.Cattod.2006.09.023 |
0.632 |
|
2006 |
Mpourmpakis G, Tylianakis E, Papanikolaou D, Froudakis GE. A multi scale theoretical study of Li+ interaction with carbon nanotubes. Journal of Nanoscience and Nanotechnology. 6: 3731-5. PMID 17256322 DOI: 10.1166/Jnn.2006.611 |
0.623 |
|
2006 |
Mpourmpakis G, Froudakis G. Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles. The Journal of Chemical Physics. 125: 204707. PMID 17144723 DOI: 10.1063/1.2397679 |
0.655 |
|
2006 |
Mpourmpakis G, Froudakis GE, Lithoxoos GP, Samios J. SiC nanotubes: A novel material for hydrogen storage. Nano Letters. 6: 1581-3. PMID 16895338 DOI: 10.1021/Nl0603911 |
0.643 |
|
2006 |
Mpourmpakis G, Tylianakis E, Froudakis G. Hydrogen storage in carbon nanotubes: a multi-scale theoretical study. Journal of Nanoscience and Nanotechnology. 6: 87-90. PMID 16573075 DOI: 10.1166/Jnn.2006.17909 |
0.665 |
|
2006 |
Mavrandonakis A, Farantos SC, Froudakis GE. Glycine interaction with carbon nanotubes: an ab initio study. The Journal of Physical Chemistry. B. 110: 6048-50. PMID 16553415 DOI: 10.1021/Jp057296L |
0.703 |
|
2006 |
Andriotis AN, Menon M, Froudakis G. Catalytic action of Ni atoms in the formation of carbon nanotubes: a molecular dynamics study. Physical Review Letters. 85: 3193-6. PMID 11019299 DOI: 10.1103/Physrevlett.85.3193 |
0.357 |
|
2006 |
Mpourmpakis G, Froudakis GE, Tylianakis E. Haeckelites: A promising anode material for lithium batteries application. An ab initio and molecular dynamics theoretical study Applied Physics Letters. 89: 233125. DOI: 10.1063/1.2403922 |
0.63 |
|
2006 |
Mavrandonakis A, Froudakis GE, Andriotis A, Menon M. Silicon carbide nanotube tips: Promising materials for atomic force microscopy and/or scanning tunneling microscopy Applied Physics Letters. 89: 123126. DOI: 10.1063/1.2221418 |
0.679 |
|
2005 |
Mpourmpakis G, Froudakis GE, Andriotis AN, Menon M. Role of Co in enhancing the magnetism of small Fe clusters Physical Review B. 72. DOI: 10.1103/Physrevb.72.104417 |
0.528 |
|
2005 |
Mpourmpakis G, Froudakis GE, Andriotis AN, Menon M. Carbon-nanotube tips with edge made of a transition metal Applied Physics Letters. 87: 193105. DOI: 10.1063/1.2126116 |
0.601 |
|
2004 |
Andriotis AN, Mpourmpakis G, Froudakis GE, Menon M. Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms. The Journal of Chemical Physics. 120: 11901-4. PMID 15268224 DOI: 10.1063/1.1752878 |
0.56 |
|
2004 |
Andriotis AN, Mpourmpakis G, Froudakis GE, Menon M. State-specific RKKY interaction in small magnetic clusters Physical Review B. 70. DOI: 10.1103/Physrevb.70.104421 |
0.553 |
|
2004 |
Menon M, Richter E, Mavrandonakis A, Froudakis G, Andriotis AN. Structure and stability of SiC nanotubes Physical Review B. 69. DOI: 10.1103/Physrevb.69.115322 |
0.706 |
|
2004 |
Mühlhäuser M, Froudakis GE, Zdetsis A. An MRD-CI study of the electronic spectrum of Si3C3 Journal of Molecular Spectroscopy. 223: 96-100. DOI: 10.1016/J.Jms.2003.09.012 |
0.566 |
|
2003 |
Stratakis M, Rabalakos C, Mpourmpakis G, Froudakis GE. Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: control of site selectivity by cation-arene interactions. The Journal of Organic Chemistry. 68: 2839-43. PMID 12662060 DOI: 10.1021/Jo020599G |
0.549 |
|
2003 |
Mpourmpakis G, Froudakis GE, Andriotis AN, Menon M. Fe encapsulation by silicon clusters:Ab initioelectronic structure calculations Physical Review B. 68. DOI: 10.1103/Physrevb.68.125407 |
0.546 |
|
2003 |
Mpourmpakis G, Froudakis GE, Andriotis AN, Menon M. Understanding the structure of metal encapsulated Si cages and nanotubes: Role of symmetry and d-band filling The Journal of Chemical Physics. 119: 7498-7502. DOI: 10.1063/1.1607309 |
0.59 |
|
2003 |
Mavrandonakis A, Froudakis GE, Schnell M, Muhlhǎuser M. From Pure Carbon to Silicon-Carbon Nanotubes: An Ab-initio Study Nano Letters. 3: 1481-1484. DOI: 10.1021/Nl0343250 |
0.684 |
|
2002 |
Andriotis AN, Mpourmpakis G, Froudakis GE, Menon M. Stabilization of Si-based cage clusters and nanotubes by encapsulation of transition metal atoms New Journal of Physics. 4: 78-78. DOI: 10.1088/1367-2630/4/1/378 |
0.585 |
|
2002 |
Mavrandonakis A, Mühlhäuser M, Froudakis GE, Peyerimhoff SD. The electronic spectrum of linear pentadiynylidene in comparison with isomeric ethynylcyclopropenylidene Physical Chemistry Chemical Physics. 4: 3318-3321. DOI: 10.1039/B200608C |
0.664 |
|
2002 |
Menon M, Andriotis AN, Froudakis G. Structure and Stability of Ni-Encapsulated Si Nanotube Nano Letters. 2: 301-304. DOI: 10.1021/Nl015695W |
0.368 |
|
2002 |
Mpourmpakis G, Mühlhäuser M, Froudakis GE, Peyerimhoff SD. Importance of multi-reference configuration interaction for 3Σu−←X3Σg− transitions of linear HC7H Chemical Physics Letters. 356: 398-402. DOI: 10.1016/S0009-2614(02)00390-1 |
0.545 |
|
2001 |
Andriotis AN, Menon M, Srivastava D, Froudakis G. Extreme hydrogen sensitivity of the transport properties of single-wall carbon-nanotube capsules Physical Review B. 64. DOI: 10.1103/Physrevb.64.193401 |
0.398 |
|
2000 |
Stratakis M, Froudakis G. Site Specificity in the Photooxidation of Some Trisubstituted Alkenes in Thionin-Supported Zeolite Na-Y. On the Role of the Alkali Metal Cation Organic Letters. 2: 1369-1372. PMID 10814449 DOI: 10.1021/Ol000021Y |
0.321 |
|
1996 |
Zdetsis AD, Froudakis G, Mühlhäuser M, Thümnel H. Ab initio study of electronic, structural, and vibrational properties of the Si4C cluster The Journal of Chemical Physics. 104: 2566-2573. DOI: 10.1063/1.471004 |
0.652 |
|
1995 |
Froudakis GE, Mühlhäuser M, Zdetsis AD. Theoretical study of the Si3C2 cluster Chemical Physics Letters. 233: 619-626. DOI: 10.1016/0009-2614(94)01500-U |
0.609 |
|
1993 |
Mistriotis AD, Froudakis GE, Vendras P, Flytzanis N. Model potential for silicon clusters and surfaces. Physical Review. B, Condensed Matter. 47: 10648-10653. PMID 10005180 DOI: 10.1103/Physrevb.47.10648 |
0.322 |
|
1993 |
Mistriotis AD, Zdetsis AD, Froudakis GE, Menon M. Reproduction of quantum tight-binding effects in silicon clusters by a four-body classical model Journal of Physics: Condensed Matter. 5: 6183-6188. DOI: 10.1088/0953-8984/5/34/006 |
0.535 |
|
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