| Year |
Citation |
Score |
| 2019 |
Papakondylis A, Mavridis A. Electronic Structure and Bonding of the Fastidious Species CN and CP: A First-Principles Study. The Journal of Physical Chemistry. A. PMID 31670956 DOI: 10.1021/Acs.Jpca.9B09084 |
0.569 |
|
| 2019 |
Kalemos A, Ariyarathna IR, Khan SN, Miliordos E, Mavridis A. “Hypervalency” and the chemical bond Computational and Theoretical Chemistry. 1153: 65-74. DOI: 10.1016/J.Comptc.2019.02.014 |
0.769 |
|
| 2017 |
Papakondylis A, Mavridis A. The story of the B4H4 molecule told again Computational and Theoretical Chemistry. 1115: 217-222. DOI: 10.1016/J.Comptc.2017.06.022 |
0.388 |
|
| 2015 |
Magoulas I, Papakondylis A, Mavridis A. Structural parameters of the ground states of the quasi-stable diatomic anions CO−, BF−, and BCl− as obtained by conventional Ab Initio methods International Journal of Quantum Chemistry. 115: 771-778. DOI: 10.1002/Qua.24899 |
0.49 |
|
| 2014 |
Magoulas I, Papakondylis A, Mavridis A. Accurate ab Initio Structural Parameters of the Diatomic and Triatomic van der Waals Molecules 11BNg (X2Π, A2Σ+) and 11BNg2 (X̃2B1), Ng = 4He, 20Ne, 40Ar, 84Kr, and 132Xe Journal of Physical Chemistry A. 118: 3990-3995. PMID 24806885 DOI: 10.1021/Jp5027288 |
0.516 |
|
| 2014 |
Papakondylis A, Mavridis A. Accurate structural parameters and binding energy of the X1̃A1 state of diazomethane through coupled-cluster calculations Chemical Physics Letters. 600: 103-105. DOI: 10.1016/J.Cplett.2014.03.058 |
0.526 |
|
| 2014 |
Vassilakis AA, Kalemos A, Mavridis A. Accurate first principles calculations on chlorine fluoride ClF and its ions ClF Theoretical Chemistry Accounts. 133: 1436. DOI: 10.1007/S00214-013-1436-7 |
0.539 |
|
| 2013 |
Magoulas I, Kalemos A, Mavridis A. An ab initio study of the electronic structure of BF and BF Journal of Chemical Physics. 138: 104312-104312. PMID 23514494 DOI: 10.1063/1.4793738 |
0.56 |
|
| 2013 |
Sakellaris CN, Mavridis A. First principles exploration of NiO and its ions NiO+ and NiO− Journal of Chemical Physics. 138: 54308-54308. PMID 23406120 DOI: 10.1063/1.4789416 |
0.522 |
|
| 2013 |
Kalemos A, Mavridis A. All electron ab initio calculations on the ScTi molecule: a really hard nut to crack Theoretical Chemistry Accounts. 132: 1408. DOI: 10.1007/S00214-013-1408-Y |
0.542 |
|
| 2012 |
Krechkivska O, Morse MD, Kalemos A, Mavridis A. Electronic spectroscopy and electronic structure of diatomic TiFe. The Journal of Chemical Physics. 137: 054302. PMID 22894343 DOI: 10.1063/1.4738958 |
0.429 |
|
| 2012 |
Sakellaris CN, Mavridis A. First principles study of cobalt hydride, CoH, and its ions CoH+ and CoH-. Journal of Chemical Physics. 137: 34309-34309. PMID 22830704 DOI: 10.1063/1.4734595 |
0.555 |
|
| 2012 |
Sakellaris CN, Mavridis A. Electronic structure and bonding of cobalt monoxide, CoO, and its ions CoO+ and CoO-: an ab initio study. Journal of Physical Chemistry A. 116: 6935-6949. PMID 22708873 DOI: 10.1021/Jp303906S |
0.549 |
|
| 2012 |
Kalemos A, Metropoulos A, Mavridis A. Structure and bonding of ScCN and ScNC: Ground and low-lying states Chemical Physics. 399: 46-49. DOI: 10.1016/J.Chemphys.2011.05.008 |
0.524 |
|
| 2011 |
Kalemos A, Mavridis A. The electronic structure of Ti2 and Ti2( Journal of Chemical Physics. 135: 134302-134302. PMID 21992300 DOI: 10.1063/1.3643380 |
0.569 |
|
| 2011 |
Sakellaris CN, Miliordos E, Mavridis A. First principles study of the ground and excited states of FeO, FeO+, and FeO(-). The Journal of Chemical Physics. 134: 234308. PMID 21702557 DOI: 10.1063/1.3598529 |
0.712 |
|
| 2011 |
Kalemos A, Mavridis A. Myths and Reality of Hypervalent Molecules. The Electronic Structure of FClOx,x= 1-3, Cl3PO, Cl3PCH2, Cl3CClO, and C(ClO)4 Journal of Physical Chemistry A. 115: 2378-2384. PMID 21351781 DOI: 10.1021/Jp111330Y |
0.344 |
|
| 2011 |
Hernando A, Mayol R, Pi M, Barranco M, Kerkines ISK, Mavridis A. Li atoms attached to helium nanodroplets International Journal of Quantum Chemistry. 111: 400-405. DOI: 10.1002/Qua.22636 |
0.362 |
|
| 2010 |
Sakellaris CN, Papakondylis A, Mavridis A. Ab initio Study of the Electronic Structure of Zinc Oxide and its Ions, ZnO0,±. Ground and Excited States Journal of Physical Chemistry A. 114: 9333-9341. PMID 20690671 DOI: 10.1021/Jp104764D |
0.513 |
|
| 2010 |
Brugh DJ, Morse MD, Kalemos A, Mavridis A. Electronic spectroscopy and electronic structure of diatomic CrC. The Journal of Chemical Physics. 133: 034303. PMID 20649326 DOI: 10.1063/1.3456178 |
0.404 |
|
| 2010 |
Tzeli D, Mavridis A. Accurate ab initio calculations of the ground states of FeC, FeC(+), and FeC(-). Journal of Chemical Physics. 132: 194312-194312. PMID 20499968 DOI: 10.1063/1.3429612 |
0.508 |
|
| 2010 |
Miliordos E, Mavridis A. An accurate first principles study of the geometric and electronic structure of B2, B2(-), B3, B3(-), and B3H: ground and excited states. The Journal of Chemical Physics. 132: 164307. PMID 20441275 DOI: 10.1063/1.3389133 |
0.669 |
|
| 2010 |
Miliordos E, Mavridis A. Electronic structure and bonding of the early 3d-transition metal diatomic oxides and their ions: ScO(0,+/-), TiO(0,+/-), CrO(0,+/-), and MnO(0,+/-). The Journal of Physical Chemistry. A. 114: 8536-72. PMID 20113002 DOI: 10.1021/Jp910218U |
0.705 |
|
| 2010 |
Kalemos A, Kaplan IG, Mavridis A. The Sc2 dimer revisited Journal of Chemical Physics. 132: 24309-24309. PMID 20095676 DOI: 10.1063/1.3290951 |
0.551 |
|
| 2009 |
Kalemos A, Mavridis A. Bonding elucidation of the three common acids H2SO4, HNO3, and HClO4. Journal of Physical Chemistry A. 113: 13972-13975. PMID 20000387 DOI: 10.1021/Jp906294D |
0.444 |
|
| 2009 |
Kardahakis S, Mavridis A. First-principles investigation of the early 3d transition metal diatomic chlorides and their ions, ScCl(0,+/-), TiCl(0,+/-), VCl(0,+/-), and CrCl(0,+/-). Journal of Physical Chemistry A. 113: 6818-6840. PMID 19456112 DOI: 10.1021/Jp901225Y |
0.367 |
|
| 2009 |
Kalemos A, Mavridis A. The electronic structure and bonding of AlNAl Journal of Chemical Physics. 130: 154308-154308. PMID 19388747 DOI: 10.1063/1.3106614 |
0.596 |
|
| 2008 |
Kalemos A, Dunning TH, Mavridis A. The electronic structure of the two lowest states of CuC. The Journal of Chemical Physics. 129: 174306. PMID 19045346 DOI: 10.1063/1.3005651 |
0.536 |
|
| 2008 |
Tzeli D, Miranda U, Kaplan IG, Mavridis A. First principles study of the electronic structure and bonding of Mn2 Journal of Chemical Physics. 129: 154310. PMID 19045196 DOI: 10.1063/1.2993750 |
0.541 |
|
| 2008 |
Koukounas C, Mavridis A. Ab initio study of the diatomic fluorides FeF, CoF, NiF, and CuF. Journal of Physical Chemistry A. 112: 11235-11250. PMID 18841949 DOI: 10.1021/Jp805034W |
0.474 |
|
| 2008 |
Kalemos A, Mavridis A. Electronic structure and bonding of ozone. Journal of Chemical Physics. 129: 54312-54312. PMID 18698905 DOI: 10.1063/1.2960629 |
0.515 |
|
| 2008 |
Miliordos E, Mavridis A. Ab initio investigation of the electronic structure and bonding of BH, BH(-), and HBBH molecules. The Journal of Chemical Physics. 128: 144308. PMID 18412446 DOI: 10.1063/1.2902284 |
0.738 |
|
| 2008 |
Tzeli D, Mavridis A. Electronic structure and bonding of the 3d transition metal borides, MB, M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations Journal of Chemical Physics. 128: 34309-34309. PMID 18205500 DOI: 10.1063/1.2821104 |
0.581 |
|
| 2007 |
Miliordos E, Papakondylis A, Tsekouras AA, Mavridis A. All-electron first principles calculations of the ground and some low-lying excited states of BaI. The Journal of Physical Chemistry. A. 111: 10002-9. PMID 17850123 DOI: 10.1021/Jp0745788 |
0.758 |
|
| 2007 |
Tzeli D, Mavridis A. Theoretical investigation of the ground and low-lying excited states of nickel carbide, NiC Journal of Chemical Physics. 126: 194304-194304. PMID 17523801 DOI: 10.1063/1.2723114 |
0.587 |
|
| 2007 |
Kalemos A, Mavridis A. Ab initio study of the electronic structure and bonding of aluminum nitride. Journal of Physical Chemistry A. 111: 11221-11231. PMID 17461559 DOI: 10.1021/Jp070544O |
0.597 |
|
| 2007 |
Miliordos E, Mavridis A. Electronic structure of vanadium oxide. Neutral and charged species, VO0,+/-. The Journal of Physical Chemistry. A. 111: 1953-65. PMID 17388278 DOI: 10.1021/Jp067451B |
0.707 |
|
| 2007 |
Kerkines ISK, Mavridis A. A Theoretical Study of Calcium Monohydride, CaH: Low-Lying States and Their Permanent Electric Dipole Moments Journal of Physical Chemistry A. 111: 371-374. PMID 17214474 DOI: 10.1021/Jp064705K |
0.552 |
|
| 2006 |
Kerkines ISK, Mavridis A, Karipidis PA. Structure and energetics of gaseous HZnCl. Journal of Physical Chemistry A. 110: 10899-10903. PMID 16970387 DOI: 10.1021/Jp062801F |
0.47 |
|
| 2006 |
Tzeli D, Mavridis A. Electronic Structure of Cobalt Carbide, CoC Journal of Physical Chemistry A. 110: 8952-8962. PMID 16836459 DOI: 10.1021/Jp062357G |
0.629 |
|
| 2006 |
Kalemos A, Dunning TH, Mavridis A. Ab initio study of the electronic structure of manganese carbide. The Journal of Chemical Physics. 124: 154308. PMID 16674227 DOI: 10.1063/1.2181972 |
0.618 |
|
| 2006 |
Kardahakis S, Koukounas C, Mavridis A. Interaction of the early 3d transition metals Sc, Ti, V, and Cr with N2: an ab initio study. Journal of Chemical Physics. 124: 104306. PMID 16542078 DOI: 10.1063/1.2174000 |
0.486 |
|
| 2005 |
Tzeli D, Mavridis A. Ab Initio Investigation of the Electronic and Geometric Structure of Magnesium Diboride, MgB2 Journal of Physical Chemistry A. 109: 10663-10674. PMID 16863115 DOI: 10.1021/Jp058172B |
0.603 |
|
| 2005 |
Kerkines ISK, Carsky P, Mavridis A. A Multireference Coupled-Cluster Potential Energy Surface of Diazomethane, CH2N2 Journal of Physical Chemistry A. 109: 10148-10152. PMID 16838935 DOI: 10.1021/Jp054530Z |
0.459 |
|
| 2005 |
Papakondylis aA, Mavridis A. Ab initio investigation of the electronic structure and bonding of the HC(N2)x(+) and HC(CO)x(+) cations, x = 1, 2. Journal of Physical Chemistry A. 109: 6549-6554. PMID 16834001 DOI: 10.1021/Jp0580975 |
0.45 |
|
| 2005 |
Tzeli D, Mavridis A. First principles investigation of the electronic structure of the iron carbide cation, FeC+. Journal of Physical Chemistry A. 109: 9249-9258. PMID 16833265 DOI: 10.1021/Jp040765J |
0.585 |
|
| 2005 |
Kerkines ISK, Mavridis A. On the electron affinity of SiN and spectroscopic constants of SiN( Journal of Chemical Physics. 123: 124301-124301. PMID 16392476 DOI: 10.1063/1.2035591 |
0.471 |
|
| 2005 |
Koukounas C, Kardahakis S, Mavridis A. Electronic and geometric structure of the 3d-transition metal monocarbonyls MCO, M=Sc, Ti, V, and Cr. Journal of Chemical Physics. 123: 74327-74327. PMID 16229590 DOI: 10.1063/1.1949199 |
0.472 |
|
| 2005 |
Kalemos A, Dunning TH, Mavridis A. First principles investigation of chromium carbide, CrC. The Journal of Chemical Physics. 123: 014302. PMID 16035830 DOI: 10.1063/1.1926247 |
0.561 |
|
| 2005 |
Kalemos A, Dunning TH, Mavridis A. The electronic structure of vanadium carbide, VC. The Journal of Chemical Physics. 123: 014301. PMID 16035829 DOI: 10.1063/1.1926228 |
0.569 |
|
| 2005 |
Tzeli D, Mavridis A. The dipole moments of the excited states of FeC. Journal of Chemical Physics. 122: 56101-56101. PMID 15740355 DOI: 10.1063/1.1834564 |
0.407 |
|
| 2005 |
Kardahakis S, Koukounas C, Mavridis A. First principles study of the diatomic charged fluorides MF(+/-), M=Sc, Ti, V, Cr, and Mn. Journal of Chemical Physics. 122: 54312-54312. PMID 15740327 DOI: 10.1063/1.1834912 |
0.466 |
|
| 2005 |
Tzeli D, Mavridis A. CH(X2∏, a4∑−) … OH2 and CH2(X̃3B1, ã1A1) … OH2 interactions. A first principles investigation International Journal of Quantum Chemistry. 104: 497-511. DOI: 10.1002/Qua.20637 |
0.371 |
|
| 2005 |
Kardahakis S, Pittner J, Čársky P, Mavridis A. Multireference configuration interaction and coupled-cluster calculations on the X3Σ−, a1Δ, and b1Σ+ states of the NF molecule International Journal of Quantum Chemistry. 104: 458-467. DOI: 10.1002/Qua.20618 |
0.53 |
|
| 2005 |
Teberekidis VI, Kerkines ISK, Tsipis CA, Čársky P, Mavridis A. Ground states of BeC and MgC: A comparative multireference Brillouin–Wigner coupled cluster and configuration interaction study† International Journal of Quantum Chemistry. 102: 762-774. DOI: 10.1002/Qua.20379 |
0.501 |
|
| 2004 |
Tzeli D, Mavridis A. On the ground state of titanium phosphide, TiP: A theoretical investigation Journal of Chemical Physics. 121: 2646-2648. PMID 15281864 DOI: 10.1063/1.1768159 |
0.603 |
|
| 2004 |
Kalemos A, Dunning TH, Mavridis A. On symmetry breaking in BNB: real or artifactual? The Journal of Chemical Physics. 120: 1813-9. PMID 15268311 DOI: 10.1063/1.1635797 |
0.547 |
|
| 2004 |
Koukounas C, Kardahakis S, Mavridis A. Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF. Journal of Chemical Physics. 120: 11500-11521. PMID 15268185 DOI: 10.1063/1.1738412 |
0.585 |
|
| 2004 |
Kerkines ISK, Mavridis A. Electronic structure of vanadium and chromium carbide cations, VC+ and CrC+. Ground and low-lying states Molecular Physics. 102: 2451-2466. DOI: 10.1080/0026897042000274964 |
0.582 |
|
| 2004 |
Kalemos A, Dunning TH, Mavridis A. SiH2, a critical study Molecular Physics. 102: 2597-2606. DOI: 10.1080/00268970412331293802 |
0.541 |
|
| 2004 |
Papakondylis A, Kerkines ISK, Mavridis A. Theoretical investigation of organo-noble gas compounds, HC(Ng)n+, n = 1, 2; Ng = He, Ne, Ar, Kr, and Xe. Evidence for potentially isolable HCArn+, HCKrn+, and HCXen+ species Journal of Physical Chemistry A. 108: 11127-11131. DOI: 10.1021/Jp040504+ |
0.424 |
|
| 2004 |
Papakondylis A, Miliordos E, Mavridis A. 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 Journal of Physical Chemistry A. 108: 4335-4340. DOI: 10.1021/Jp031308Q |
0.724 |
|
| 2003 |
Kerkines ISK, Mavridis A. Electronic structure and bonding nature of the ground state monocarbide cations, ScC+, TiC+, VC+, and CrC+ Collection of Czechoslovak Chemical Communications. 68: 387-404. DOI: 10.1135/Cccc20030387 |
0.589 |
|
| 2003 |
Metropoulos A, Papakondylis A, Mavridis A. Ab initio investigation of the ground state properties of PO, PO+, and PO− Journal of Chemical Physics. 119: 5981-5987. DOI: 10.1063/1.1599341 |
0.541 |
|
| 2003 |
Kalemos A, Dunning TH, Harrison JF, Mavridis A. Electronic structure of linear TiCH Journal of Chemical Physics. 119: 3745-3750. DOI: 10.1063/1.1584425 |
0.557 |
|
| 2003 |
Tzeli D, Mavridis A. On the dipole moment of the ground state X 3Δ of iron carbide, FeC Journal of Chemical Physics. 118: 4984-4986. DOI: 10.1063/1.1545680 |
0.432 |
|
| 2003 |
Papakondylis aA, Mavridis A. Theoretical Investigation of the Electronic States of Calcium Carbide, CaC Journal of Physical Chemistry A. 107: 7650-7655. DOI: 10.1021/Jp0306444 |
0.545 |
|
| 2003 |
Tsouloucha A, Kerkines ISK, Mavridis A. Ab Initio Study of the Ground and Excited States of Zinc Carbide, ZnC Journal of Physical Chemistry A. 107: 6062-6072. DOI: 10.1021/Jp030319G |
0.615 |
|
| 2002 |
Kerkines ISK, Pittner J, Čársky P, Mavridis A, Hubač I. On the ground states of CaC and ZnC: A multireference Brillouin–Wigner coupled cluster study Journal of Chemical Physics. 117: 9733-9739. DOI: 10.1063/1.1516809 |
0.494 |
|
| 2002 |
Kerkines ISK, Mavridis A. Theoretical investigation of the X 2Σ+, A 2Π, and B 2Σ+ states of LiAr and LiKr Journal of Chemical Physics. 116: 9305-9314. DOI: 10.1063/1.1473809 |
0.568 |
|
| 2002 |
Tzeli D, Mavridis A. Theoretical investigation of iron carbide, FeC Journal of Chemical Physics. 116: 4901-4921. DOI: 10.1063/1.1450548 |
0.583 |
|
| 2002 |
Tzeli D, Mavridis A, Xantheas SS. First Principles Examination of the Acetylene-Water Clusters, HCCH-(H2O)x, x ) 2, 3, and 4 Journal of Physical Chemistry A. 106: 11327-11337. DOI: 10.1021/Jp021191Q |
0.625 |
|
| 2002 |
Kerkines ISK, Papakondylis aA, Mavridis A. 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 We Really Need the Resonance Concept? Journal of Physical Chemistry A. 106: 4435-4442. DOI: 10.1021/Jp014124P |
0.36 |
|
| 2002 |
Kalemos A, Mavridis A. Theoretical Investigation of Titanium Carbide, TiC: X3Σ+, a1Σ+, A3Δ, and b1Δ States Journal of Physical Chemistry A. 106: 3905-3908. DOI: 10.1021/Jp0141225 |
0.517 |
|
| 2001 |
Metropoulos A, Mavridis A. Conditions conducive to the chemi-ionization reaction O(3P)+CH(X 2Π,a 4Σ−)→HCO+(X 1Σ+)+e− Journal of Chemical Physics. 115: 6946-6950. DOI: 10.1063/1.1405007 |
0.399 |
|
| 2001 |
Papakondylis A, Mavridis A. Structure and Bonding of the Polytopic Molecule Li[BO]. A Theoretical Investigation Journal of Physical Chemistry A. 105: 7106-7110. DOI: 10.1021/Jp010832Z |
0.547 |
|
| 2001 |
and DT, Mavridis A. Accurate Theoretical Study of the Excited States of Boron and Aluminum Carbides, BC, AlC. 2 Journal of Physical Chemistry A. 105: 7672-7685. DOI: 10.1021/Jp010459V |
0.558 |
|
| 2001 |
Kerkines ISK, Mavridis A. An Accurate Description of the LiNe X2Σ+, A2Π, and B2Σ+States Journal of Physical Chemistry A. 105: 1983-1987. DOI: 10.1021/Jp003320D |
0.449 |
|
| 2001 |
and DT, Mavridis A. First-Principles Investigation of the Boron and Aluminum Carbides BC and AlC and Their Anions BC- and AlC-. 1 Journal of Physical Chemistry A. 105: 1175-1184. DOI: 10.1021/Jp003258K |
0.566 |
|
| 2001 |
Kalemos A, Mavridis A, Harrison JF. Theoretical investigation of scandium carbide, ScC Journal of Physical Chemistry A. 105: 755-759. DOI: 10.1021/Jp003031P |
0.598 |
|
| 2001 |
Papakondylis A, Mavridis A. A highly accurate first principles determination of the electron affinity of BO(X2Σ+) and binding energy of BO−(X1Σ+) Chemical Physics Letters. 341: 382-386. DOI: 10.1016/S0009-2614(01)00496-1 |
0.5 |
|
| 2001 |
Tzeli D, Mavridis A, Xantheas SS. A molecular level study of the aqueous microsolvation of acetylene Chemical Physics Letters. 340: 538-546. DOI: 10.1016/S0009-2614(01)00444-4 |
0.592 |
|
| 2000 |
Kalemos A, Mavridis A. Electronic structure determination of chromium boride cation, CrB+ Journal of Chemical Physics. 113: 2270-2281. DOI: 10.1063/1.482042 |
0.587 |
|
| 2000 |
Tzeli D, Mavridis A, Xantheas SS. A first principles study of the acetylene–water interaction Journal of Chemical Physics. 112: 6178-6189. DOI: 10.1063/1.481268 |
0.675 |
|
| 2000 |
Kerkines ISK, Mavridis A. Ab Initio Investigation of the LiHe X2Σ+, A2Π, and B2Σ+States: A Basis Set Study Journal of Physical Chemistry A. 104: 408-412. DOI: 10.1021/Jp992824C |
0.453 |
|
| 2000 |
and ISKK, Mavridis A. Electronic Structure of Scandium and Titanium Carbide Cations, ScC+ and TiC+. Ground and Low-Lying States Journal of Physical Chemistry A. 104: 11777-11785. DOI: 10.1021/Jp002264D |
0.555 |
|
| 2000 |
Tzeli D, Mavridis A. The Electronic Structure of ScAl+. Ground and Low-Lying Excited States Journal of Physical Chemistry A. 104: 6861-6870. DOI: 10.1021/Jp000894+ |
0.51 |
|
| 2000 |
Metropoulos A, Mavridis A. Predissociation lifetimes of the E 2Π and F 2Π states of CH Chemical Physics Letters. 331: 89-94. DOI: 10.1016/S0009-2614(00)01156-8 |
0.339 |
|
| 1999 |
Kalemos A, Mavridis A, Metropoulos A. An accurate description of the ground and excited states of SiH Journal of Chemical Physics. 116: 6529-6540. DOI: 10.1063/1.1461817 |
0.559 |
|
| 1999 |
Papakondylis A, Mavridis A. Electronic and Geometrical Structure of the Sc[BO]+ Cation. An Ab Initio Investigation Journal of Physical Chemistry A. 103: 9359-9363. DOI: 10.1021/Jp992585T |
0.593 |
|
| 1999 |
Kalemos A, Mavridis A. Ground and Low-Lying States of the Vanadium Boride Cation, VB + : An ab Initio Investigation Journal of Physical Chemistry A. 103: 3336-3345. DOI: 10.1021/Jp984614Q |
0.578 |
|
| 1999 |
Papakondylis A, Mavridis A. A Theoretical Investigation of the Structure and Bonding of Diazomethane, CH2N2 Journal of Physical Chemistry A. 103: 1255-1259. DOI: 10.1021/Jp983403I |
0.448 |
|
| 1998 |
Kalemos A, Mavridis A, Xantheas SS. Theoretical Investigation of the Ground X3Σ- State of Nitrogen Bromide Journal of Physical Chemistry A. 102: 10536-10539. DOI: 10.1021/Jp982875U |
0.663 |
|
| 1998 |
Kalemos A, Mavridis A. Bonding Investigation of the Ground and Low-Lying States of the Titanium Boride Cation, TiB+ Journal of Physical Chemistry A. 102: 5982-5992. DOI: 10.1021/Jp981088U |
0.585 |
|
| 1998 |
Tzeli D, Papakondylis aA, Mavridis A. On the Electronic Structure of NLi2 and PLi2, Ground and Low-Lying Excited States Journal of Physical Chemistry A. 102: 2223-2230. DOI: 10.1021/Jp972998Z |
0.575 |
|
| 1998 |
Kalemos A, Mavridis A. On the Electronic Structure of ScB+: Ground and Low-Lying Excited States Advances in Quantum Chemistry. 32: 69-91. DOI: 10.1016/S0065-3276(08)60407-4 |
0.561 |
|
| 1997 |
Xantheas SS, Dunning TH, Mavridis A. The dissociation energies of NF(X 3Σ−) and NCl(X 3Σ−) Journal of Chemical Physics. 106: 3280-3286. DOI: 10.1063/1.474120 |
0.659 |
|
| 1997 |
Tzeli D, Papakondylis A, Mavridis A. On the electronic structure of the ground (X3Σ−) and some low-lying excited states (A3Π, a1Δ, b1∑+, B3Σ−) of the isovalent species PLi and PNa Journal of Molecular Structure-Theochem. 417: 277-287. DOI: 10.1016/S0166-1280(97)00146-2 |
0.562 |
|
| 1996 |
Glezakou VA, Mavridis A, Harrison JF. Electronic structure of the ground and low-lying excited states of TiP Journal of Physical Chemistry. 100: 13971-13975. DOI: 10.1021/Jp960526Z |
0.524 |
|
| 1996 |
Kalemos A, Papakondylis A, Mavridis A. Elucidation of the structural characteristics of the isovalent species Li[CO] and Li[CS] by ab anitio calculations Chemical Physics Letters. 259: 185-192. DOI: 10.1016/0009-2614(96)00738-5 |
0.561 |
|
| 1996 |
Matsika S, Papakondylis A, Mavridis A. Ab initio study of the ground and several excited states of the NLi system Chemical Physics Letters. 250: 409-414. DOI: 10.1016/0009-2614(96)00010-3 |
0.478 |
|
| 1995 |
Papakondylis A, Mavridis A, Metropoulos A. Theoretical Study of the Electronic and Geometrical Structure of the Ground and Low-Lying States of NCl2, PCl2, NCl, and PCl Radicals The Journal of Physical Chemistry. 99: 10759-10765. DOI: 10.1021/J100027A014 |
0.468 |
|
| 1995 |
Kalemos A, Papakondylis A, Mavridis A. An ab initio study of Li+ …CS, a purely electrostatic system Journal of Molecular Structure-Theochem. 357: 97-101. DOI: 10.1016/0166-1280(95)04265-8 |
0.401 |
|
| 1994 |
Papakondylis A, Mavridis A, Bigot B. All-Electron Ab Initio Calculations On Tetramethyltin The Journal of Physical Chemistry. 98: 8906-8909. DOI: 10.1021/J100087A015 |
0.374 |
|
| 1994 |
Glezakou VA, Kapellos ST, Mavridis A. A theoretical study of the geometrical structure and energy inversion barriers of the cyanopnictogens NC-XY2 (X = N or P; Y = H, F, Cl or Br) Journal of Molecular Structure: Theochem. 305: 225-239. DOI: 10.1016/0166-1280(94)80158-4 |
0.466 |
|
| 1994 |
Mach P, Hubač I, Mavridis A. Ab initio structural study of the B4H4 molecule. Asymmetric structure for a ‘symmetric’ system Chemical Physics Letters. 226: 469-474. DOI: 10.1016/0009-2614(94)00776-4 |
0.513 |
|
| 1993 |
Mavridis A, Metropoulos A. Structural characterization of scandium monophosphide (1 The Journal of Physical Chemistry. 97: 10955-10957. DOI: 10.1021/J100144A010 |
0.467 |
|
| 1993 |
Kapellos ST, Mavridis A. An ab initio structural study of cyanamide Journal of Molecular Structure-Theochem. 279: 151-156. DOI: 10.1016/0166-1280(93)90062-G |
0.414 |
|
| 1993 |
Papakondylis A, Mavridis A. Electronic and geometrical structure of the NF2 radical Chemical Physics Letters. 216: 167-172. DOI: 10.1016/0009-2614(93)E1254-E |
0.469 |
|
| 1989 |
Mavridis A, Harrison JR. Electronic and geometric structure of the titanium hydrides, TiH+ and TiH2+ Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 85: 1391-1399. DOI: 10.1039/F29898501391 |
0.47 |
|
| 1989 |
Mavridis A, Harrison JF, Allison J. On the electrostatic bonding of carbonyl to the monocations of the first-row transition elements Journal of the American Chemical Society. 111: 2482-2487. DOI: 10.1021/Ja00189A019 |
0.329 |
|
| 1984 |
Mavridis A, Harrison JF, Liebman JF. Electronic structure of CNa and CNa2 in their electronic ground states The Journal of Physical Chemistry. 88: 4973-4978. DOI: 10.1021/J150665A036 |
0.448 |
|
| 1982 |
Mavridis A, Harrison JF. Near-Hartree-Fock calculations on the ground state of the fluoronium ion, FH2+ Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 78: 447-455. DOI: 10.1039/F29827800447 |
0.491 |
|
| 1982 |
Mavridis A, Harrison J. Electronic structure of carbon-lithium, silicon-hydrogen, and silicon-lithium in the lowest 4.SIGMA.- and 2.pi. states The Journal of Physical Chemistry. 86: 1979-1985. DOI: 10.1021/J100208A015 |
0.304 |
|
| 1981 |
Mavridis A, Harrison JF. An Ab Initio Study Of The Electronic Structure Of The Ground Triplet And Low-Lying Singlet States Of Formylnitrene, Hcon And Formylphosphinidene, Hcop Cheminform. 12. DOI: 10.1002/Chin.198112082 |
0.503 |
|
| 1980 |
Mavridis A, Harrison JF. An ab initio study of the electronic structure of the ground triplet and low-lying singlet states of formylnitrene, HCON, and formylphosphinidene, HCOP Journal of the American Chemical Society. 102: 7651-7655. DOI: 10.1021/Ja00546A005 |
0.503 |
|
| Show low-probability matches. |