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1

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

2

Accurate ab initio investigation of the ground and some low-lying electronic states of boron monoiodide, BI, and its ions BI + and BI −

Kitsaras, Marios-Peter, Papakondylis, Aristotle

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 654 KB

english, 2018

3

Electronic Structure and Bonding of the Fastidious Species CN 2 and CP 2 . A First Principles Study

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2019

File:

PDF, 3.45 MB

2019

4

Theoretical Study of the Electronic and Geometrical Structure of the Ground and Low-Lying States of NCl2, PCl2, NCl, and PCl Radicals

Papakondylis, Aristotle, Mavridis, Aristides, Metropoulos, Aristophanes

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 770 KB

english, 1995

5

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

6

Carbonyl Boron and Related Systems: An ab Initio Study of B−X and YB⋮BY ( 1 Σ g+ ), Where X = He, Ne, Ar, Kr, CO, CS, N 2 and Y = Ar, Kr, CO, CS, N 2

Papakondylis, Aristotle, Miliordos, Evangelos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 128 KB

english, 2004

7

Theoretical Investigation of the Electronic States of Calcium Carbide, CaC

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

8

All-Electron First Principles Calculations of the Ground and Some Low-Lying Excited States of BaI

Miliordos, Evangelos, Papakondylis, Aristotle, Tsekouras, Athanasios A., Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 134 KB

english, 2007

9

Ab initio investigation of the lowest 2A″ and 2A′ potential energy surfaces of the Kr− cationic system

Aristotle Papakondylis

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 269 KB

english, 2010

10

On the Electronic Structure of NLi 2 and PLi 2 , Ground and Low-Lying Excited States

Tzeli, Demeter, Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 218 KB

english, 1998

11

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

12

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

13

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

Papakondylis, Aristotle, Sautet, Philippe

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 489 KB

english, 1996

14

Structure and Bonding of the Polytopic Molecule Li[BO]. A Theoretical Investigation

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

15

Structural parameters of the ground states of the quasi-stable diatomic anions CO − , BF − , and BCl − as obtained by conventional Ab Initio methods

Magoulas, Ilias, Papakondylis, Aristotle, Mavridis, Aristides

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 528 KB

english, 2015

16

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

17

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

18

Xenon oxides, sulfides, and oxysulfides. A theoretical ab initio investigation

Papakondylis, Aristotle

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 379 KB

english, 2013

19

Ab initio study of the ground and excited states of the zinc sulfide diatomic system, ZnS

Aristotle Papakondylis

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 455 KB

english, 2011

20

Electronic and Geometrical Structure of the Sc[BO] + Cation. An Ab Initio Investigation

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 126 KB

english, 1999

21

Electronic Structure and Bonding of the Fastidious Species CN 2 and CP 2 . A First Principles Study

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 3.45 MB

english, 2019

22

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

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

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 109 KB

english, 2004

23

All-Electron ab Initio Calculations on Tetramethyltin

Papakondylis, Aristotle, Mavridis, Aristides, Bigot, Bernard

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.29 MB

english, 1994

24

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

25

Ab Initio Investigation of the Electronic Structure and Bonding of the HC(N 2 ) x + and HC(CO) x + Cations, x = 1, 2

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 169 KB

english, 2005

26

The story of the B 4 H 4 molecule told again

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Computational and Theoretical Chemistry

Year:

2017

Language:

english

File:

PDF, 936 KB

english, 2017

27

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

28

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

29

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

30

Theoretical Ab initio Study of the Series of N 2 X + Cations with X = F, Cl, Br, and I. New Insights on the “Unusual” N 2 F + Species

Papakondylis, Aristotle

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 498 KB

english, 2016

31

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

32

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

33

A Theoretical Investigation of the Structure and Bonding of Diazomethane, CH 2 N 2

Papakondylis, Aristotle, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 185 KB

english, 1999

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