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1

Electronic Structure and Bonding of the Early 3d-Transition Metal Diatomic Oxides and Their Ions: ScO 0,± , TiO 0,± , CrO 0,± , and MnO 0,±†

Miliordos, Evangelos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.69 MB

english, 2010

2

Ab initio investigation of the ground state properties of PO, PO[sup +], and PO[sup −]

Metropoulos, Aristophanes, Papakondylis, Aristotle, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 325 KB

english, 2003

3

1937 Nobel Prize

Mavridis, Aristides

Journal:

American Journal of Physics

Year:

2006

Language:

english

File:

PDF, 458 KB

english, 2006

4

ChemInform Abstract: 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?

Ioannis S. K. Kerkines, Aristotle Papakondylis, Aristides Mavridis

Journal:

Year:

2002

File:

PDF, 31 KB

2002

5

Ab initio Study of the Ground and Excited States of Zinc Carbide, ZnC.

Andromache Tsouloucha, Ioannis S. K. Kerkines, Aristides Mavridis

Journal:

Year:

2003

File:

PDF, 50 KB

2003

6

ChemInform Abstract: Bonding Elucidation of the Three Common Acids H2SO4, HNO3, and HClO4.

Apostolos Kalemos, Aristides Mavridis

Journal:

Year:

2010

File:

PDF, 16 KB

2010

7

Electronic and geometrical structure of the NF2 radical

Aristotle Papakondylis, Aristides Mavridis

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 481 KB

english, 1993

8

Ab initio structural study of the B4H4 molecule. Asymmetric structure for a ‘symmetric’ system

Pavel Mach, Ivan Hubač, Aristides Mavridis

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 428 KB

english, 1994

9

Ab initio study of the ground and several excited states of the NLi system

Spyridoula Matsika, Aristotle Papakondylis, Aristides Mavridis

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 407 KB

english, 1996

10

Elucidation of the structural characteristics of the isovalent species Li[CO] and Li[CS] by ab anitio calculations

Apostolos Kalemos, Aristotle Papakondylis, Aristides Mavridis

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 476 KB

english, 1996

11

Predissociation lifetimes of the E 2Π and F 2Π states of CH

Aristophanes Metropoulos, Aristides Mavridis

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 110 KB

english, 2000

12

A highly accurate first principles determination of the electron affinity of BO(X2Σ+) and binding energy of BO−(X1Σ+)

Aristotle Papakondylis, Aristides Mavridis

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

13

Ground states of BeC and MgC: A comparative multireference Brillouin–Wigner coupled cluster and configuration interaction study

Vasilios I. Teberekidis, Ioannis S. K. Kerkines, Constantinos A. Tsipis, Petr Čársky, Aristides Mavridis

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 181 KB

english, 2005

14

CH(X2∏, a4∑−) … OH2 and CH2(X̃3B1, ã1A1) … OH2 interactions. A first principles investigation

Demeter Tzeli, Aristides Mavridis

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 232 KB

english, 2005

15

Preface

Aristides Mavridis

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 34 KB

english, 2005

16

Multireference configuration interaction and coupled-cluster calculations on the X3Σ−, a1Δ, and b1Σ+ states of the NF molecule

Stavros Kardahakis, Jiří Pittner, Petr Čársky, Aristides Mavridis

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 146 KB

english, 2005

17

Li atoms attached to helium nanodroplets

Alberto Hernando, Ricardo Mayol, Martí Pi, Manuel Barranco, Ioannis S. K. Kerkines, Aristides Mavridis

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 266 KB

english, 2011

18

A molecular level study of the aqueous microsolvation of acetylene

Demeter Tzeli, Aristides Mavridis, Sotiris S. Xantheas

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 613 KB

english, 2001

19

An accurate description of the ground and excited states of CH

Kalemos, Apostolos, Mavridis, Aristides, Metropoulos, Aristophanes

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 386 KB

english, 1999

20

Electronic spectroscopy and electronic structure of diatomic TiFe

Krechkivska, Olha, Morse, Michael D., Kalemos, Apostolos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.06 MB

english, 2012

21

An ab initio study of Li+ …CS, a purely electrostatic system

Apostolos Kalemos, Aristotle Papakondylis, Aristides Mavridis

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 411 KB

english, 1995

22

Structure and bonding of ScCN and ScNC: Ground and low-lying states

Apostolos Kalemos, Aristophanes Metropoulos, Aristides Mavridis

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 332 KB

english, 2012

23

On the electronic structure of the ground (X3Σ−) and some low-lying excited states (A3Π, a1Δ, b1∑+, B3Σ−) of the isovalent species PLi and PNa

Demeter Tzeli, Aristotle Papakondylis, Aristides Mavridis

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 776 KB

english, 1997

24

Electronic structure of the carbyne C-Li and the carbene Li2C

Mavridis, Aristides, Harrison, James F.

Journal:

Journal of the American Chemical Society

Year:

1982

Language:

english

File:

PDF, 761 KB

english, 1982

25

Crystal and molecular structure of dimethoxyporphinato-germanium(IV)

Mavridis, Aristides., Tulinsky, A.

Journal:

Inorganic Chemistry

Year:

1976

Language:

english

File:

PDF, 713 KB

english, 1976

26

Electronic structure and bonding of ozone

Kalemos, Apostolos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 407 KB

english, 2008

27

CH 2 revisited

Kalemos, Apostolos, Dunning Jr., Thom H, Mavridis, Aristides, Harrison, James F

Journal:

Canadian Journal of Chemistry

Year:

2004

Language:

english

File:

PDF, 350 KB

english, 2004

28

On the Bonding Nature of the N 5+ (=N(N 2 ) 2+ ) Cation and Related Species N(CO) x + , N(NH 3 ) x + , and NR x + , x = 1, 2 and R = He, Ne, Ar, Kr. Do We Really Need the Resonance Concept?

Kerkines, Ioannis S. K., Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 138 KB

english, 2002

29

On the electron affinity of SiN and spectroscopic constants of SiN[sup −]

Kerkines, Ioannis S. K., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 387 KB

english, 2005

30

Accurate Theoretical Study of the Excited States of Boron and Aluminum Carbides, BC, AlC. 2

Tzeli, Demeter, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 224 KB

english, 2001

31

First-Principles Investigation of the Boron and Aluminum Carbides BC and AlC and Their Anions BC - and AlC - . 1

Tzeli, Demeter, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 119 KB

english, 2001

32

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

Tzeli, Demeter, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 598 KB

english, 2008

33

First principles exploration of NiO and its ions NiO+ and NiO−

Sakellaris, Constantine N., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.25 MB

english, 2013

34

Interaction of the early 3d transition metals Sc, Ti, V, and Cr with N[sub 2]: An ab initio study

Kardahakis, Stavros, Koukounas, Constantine, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 530 KB

english, 2006

35

First principles study of the diatomic charged fluorides MF[sup ±], M=Sc, Ti, V, Cr, and Mn

Kardahakis, Stavros, Koukounas, Constantine, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 582 KB

english, 2005

36

Electronic Structure of Vanadium Oxide. Neutral and Charged Species, VO 0,±

Miliordos, Evangelos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 281 KB

english, 2007

37

First principles study of the ground and excited states of FeO, FeO+, and FeO−

Sakellaris, Constantine N., Miliordos, Evangelos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 891 KB

english, 2011

38

Ab Initio Study of the Ground and Excited States of Zinc Carbide, ZnC

Tsouloucha, Andromache, Kerkines, Ioannis S. K., Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 228 KB

english, 2003

39

Theoretical investigation of iron carbide, FeC

Tzeli, Demeter, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 656 KB

english, 2002

40

First Principles Investigation of the Electronic Structure of the Iron Carbide Cation, FeC +

Tzeli, Demeter, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 425 KB

english, 2005

41

An Accurate Description of the LiNe X 2 Σ + , A 2 Π, and B 2 Σ + States

Kerkines, Ioannis S. K., Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 120 KB

english, 2001

42

Theoretical investigation of the X [sup 2]Σ[sup +], A [sup 2]Π, and B [sup 2]Σ[sup +] states of LiAr and LiKr

Kerkines, Ioannis S. K., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 301 KB

english, 2002

43

Ab initio Study of the Electronic Structure of Zinc Oxide and its Ions, ZnO 0,± . Ground and Excited States

Sakellaris, Constantine N., Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 796 KB

english, 2010

44

Electronic and geometric structure of the titanium hydrides, TiH+ and TiH + 2

Mavridis, Aristides, Harrison, James R.

Journal:

Journal of the Chemical Society Faraday Transactions 2

Year:

1989

Language:

english

File:

PDF, 613 KB

english, 1989

45

Accurate first principles calculations on chlorine fluoride ClF and its ions ClF±

Vassilakis, Athanassios A., Kalemos, Apostolos, Mavridis, Aristides

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 637 KB

english, 2014

46

All electron ab initio calculations on the ScTi molecule: a really hard nut to crack

Kalemos, Apostolos, Mavridis, Aristides

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2013

Language:

english

File:

PDF, 505 KB

english, 2013

47

The Sc[sub 2] dimer revisited

Kalemos, Apostolos, Kaplan, Ilya G., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 439 KB

english, 2010

48

Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF

Koukounas, Constantine, Kardahakis, Stavros, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 466 KB

english, 2004

49

Accurate structural parameters and binding energy of the

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 323 KB

english, 2014

50

Accurate ab Initio Structural Parameters of the Diatomic and Triatomic van der Waals Molecules 11 BNg ( X 2 Π, A 2 Σ + ) and 11 BNg 2 ( X̃ 2 B 1 ), Ng = 4 He, 20 Ne, 40 Ar, 84 Kr, and 132

Magoulas, Ilias, Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 489 KB

english, 2014

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