| Carbonyl Boron and Related Systems: An ab Initio Study of B−X and YB⋮BY (1Σg+), Where X = He, Ne, Ar, Kr, CO, CS, N2 and Y = Ar, Kr, CO, CS, N2 A Papakondylis, E Miliordos, A Mavridis The Journal of Physical Chemistry A 108 (19), 4335-4340, 2004 | 89 | 2004 |
| Ab Initio Study of the Structure of the α-MoO3 Solid and Study of the Adsorption of H2O and CO Molecules on Its (100) Surface A Papakondylis, P Sautet The Journal of physical chemistry 100 (25), 10681-10688, 1996 | 71 | 1996 |
| Theoretical study of the quenching of the low-lying excited states of lithium and magnesium by methane P Chaquin, A Papakondylis, C Giessner-Prettre, A Sevin Journal of Physical Chemistry 94 (19), 7352-7357, 1990 | 46 | 1990 |
| On the Bonding Nature of the N5+(=N(N2)2+) Cation and Related Species N(CO)x+, N(NH3)x+, and NRx+, x = 1, 2 and R = He, Ne, Ar, Kr. Do … ISK Kerkines, A Papakondylis, A Mavridis The Journal of Physical Chemistry A 106 (17), 4435-4442, 2002 | 39 | 2002 |
| Theoretical Study of the Electronic and Geometrical Structure of the Ground and Low-Lying States of NCl2, PCl2, NCl, and PCl Radicals A Papakondylis, A Mavridis, A Metropoulos The Journal of Physical Chemistry 99 (27), 10759-10765, 1995 | 34 | 1995 |
| A Theoretical Investigation of the Structure and Bonding of Diazomethane, CH2N2 A Papakondylis, A Mavridis The Journal of Physical Chemistry A 103 (9), 1255-1259, 1999 | 29 | 1999 |
| Ab initio investigation of the ground state properties of PO, and A Metropoulos, A Papakondylis, A Mavridis The Journal of chemical physics 119 (12), 5981-5987, 2003 | 21 | 2003 |
| Ab initio Study of the Electronic Structure of Zinc Oxide and its Ions, ZnO0,±. Ground and Excited States CN Sakellaris, A Papakondylis, A Mavridis The Journal of Physical Chemistry A 114 (34), 9333-9341, 2010 | 15 | 2010 |
| Elucidation of the structural characteristics of the isovalent species Li [CO] and Li [CS] by ab anitio calculations A Kalemos, A Papakondylis, A Mavridis Chemical physics letters 259 (1-2), 185-192, 1996 | 13 | 1996 |
| Structure and bonding of the polytopic molecule Li [BO]. A theoretical investigation A Papakondylis, A Mavridis The Journal of Physical Chemistry A 105 (29), 7106-7110, 2001 | 11 | 2001 |
| Electronic and geometrical structure of the NF2 radical A Papakondylis, A Mavridis Chemical physics letters 216 (1-2), 167-172, 1993 | 11 | 1993 |
| Electronic Structure and Bonding of the Fastidious Species CN2 and CP2: A First-Principles Study A Papakondylis, A Mavridis The Journal of Physical Chemistry A 123 (47), 10290-10302, 2019 | 10 | 2019 |
| A highly accurate first principles determination of the electron affinity of BO (X2Σ+) and binding energy of BO−(X1Σ+) A Papakondylis, A Mavridis Chemical physics letters 341 (3-4), 382-386, 2001 | 10 | 2001 |
| All-electron first principles calculations of the ground and some low-lying excited states of BaI E Miliordos, A Papakondylis, AA Tsekouras, A Mavridis The Journal of Physical Chemistry A 111 (39), 10002-10009, 2007 | 9 | 2007 |
| Theoretical Investigation of Organo-Noble Gas Compounds, HC (Ng) n+, n= 1, 2; Ng= He, Ne, Ar, Kr, and Xe. Evidence for Potentially Isolable HCAr n+, HCKr n+, and HCXe n+ Species A Papakondylis, ISK Kerkines, A Mavridis The Journal of Physical Chemistry A 108 (50), 11127-11131, 2004 | 9 | 2004 |
| Structural parameters of the ground states of the quasi‐stable diatomic anions CO−, BF−, and BCl− as obtained by conventional Ab Initio methods I Magoulas, A Papakondylis, A Mavridis International Journal of Quantum Chemistry 115 (12), 771-778, 2015 | 8 | 2015 |
| Xenon oxides, sulfides, and oxysulfides. A theoretical ab initio investigation A Papakondylis Computational and Theoretical Chemistry 1015, 15-20, 2013 | 8 | 2013 |
| Ab initio study of the ground and several excited states of the NLi system S Matsika, A Papakondylis, A Mavridis Chemical physics letters 250 (3-4), 409-414, 1996 | 8 | 1996 |
| The story of the B4H4 molecule told again A Papakondylis, A Mavridis Computational and Theoretical Chemistry 1115, 217-222, 2017 | 7 | 2017 |
| Electronic and Geometrical Structure of the Sc[BO]+ Cation. An Ab Initio Investigation A Papakondylis, A Mavridis The Journal of Physical Chemistry A 103 (46), 9359-9363, 1999 | 7 | 1999 |
