Apostolos Kalemos: search on Z-Library

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1

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

2

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

3

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

4

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

5

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

6

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

7

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

8

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

9

Symmetry breaking in a nutshell: The odyssey of a pseudo problem in molecular physics. The X̃ [sup 2]Σ[sub u][sup +] BNB case revisited

Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 504 KB

english, 2013

10

Theoretical investigation of the He–I2(E3Πg) ion-pair state: Ab initio intermolecular potential and vibrational levels

Kalemos, Apostolos, Valdés, Álvaro, Prosmiti, Rita

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.53 MB

english, 2012

11

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

12

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

13

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

14

Bonding Elucidation of the Three Common Acids H 2 SO 4 , HNO 3 , and HClO 4

Kalemos, Apostolos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 331 KB

english, 2009

15

Theoretical Investigation of Titanium Carbide, TiC: X 3 Σ + , a 1 Σ + , A 3 Δ, and b 1 Δ States

Kalemos, Apostolos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

16

Bonding Investigation of the Ground and Low-Lying States of the Titanium Boride Cation, TiB +

Kalemos, Apostolos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 263 KB

english, 1998

17

Ground and Low-Lying States of the Vanadium Boride Cation, VB + : An ab Initio Investigation

Kalemos, Apostolos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 215 KB

english, 1999

18

Ab Initio Study of the Electronic Structure and Bonding of Aluminum Nitride †

Kalemos, Apostolos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 250 KB

english, 2007

19

Reply to the “Comment on ‘An ab initio Study of the E 3 Π g State of the Iodine Molecule’”

Kalemos, Apostolos, Valdés, Álvaro, Prosmiti, Rita

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 133 KB

english, 2013

20

Myths and Reality of Hypervalent Molecules. The Electronic Structure of FClO x , x = 1−3, Cl 3 PO, Cl 3 PCH 2 , Cl 3 CClO, and C(ClO) 4

Kalemos, Apostolos, Mavridis, Aristides

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.01 MB

english, 2011

21

An ab initio study of the electronic structure of BF and BF+

Magoulas, Ilias, Kalemos, Apostolos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.71 MB

english, 2013

22

Theoretical Investigation of the Ground X 3 Σ - State of Nitrogen Bromide

Kalemos, Apostolos, Mavridis, Aristides, Xantheas, Sotiris S.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 52 KB

english, 1998

23

An ab Initio Study of the E 3 Π g State of the Iodine Molecule

Kalemos, Apostolos, Valdés, Álvaro, Prosmiti, Rita

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 897 KB

english, 2012

24

Theoretical Investigation of Scandium Carbide, ScC

Kalemos, Apostolos, Mavridis, Aristides, Harrison, James F.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 82 KB

english, 2001

25

SiH 2 , a critical study

Kalemos, Apostolos, Dunning Jr *, Thom H., Mavridis, Aristides

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 1.53 MB

english, 2004

26

An ab initio study of the electronic structure of boron arsenide, BAs

Magoulas, Ilias, Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.00 MB

english, 2013

27

An accurate description of the ground and excited states of SiH

Kalemos, Apostolos, Mavridis, Aristides, Metropoulos, Aristophanes

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 398 KB

english, 2002

28

Ab initio potential energy curves of the valence, Rydberg, and ion-pair states of iodine monochloride, ICl

Kalemos, Apostolos, Prosmiti, Rita

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.19 MB

english, 2014

29

An ab initio study of the electronic structure of the boron oxide neutral (BO), cationic (BO+), and anionic (BO−) species

Magoulas, Ilias, Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.19 MB

english, 2014

30

First principles investigation of chromium carbide, CrC

Kalemos, Apostolos, Dunning, Thom H., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 385 KB

english, 2005

31

Electronic spectroscopy and electronic structure of diatomic CrC

Brugh, Dale J., Morse, Michael D., Kalemos, Apostolos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 566 KB

english, 2010

32

The electronic structure of vanadium carbide, VC

Kalemos, Apostolos, Dunning, Thom H., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 410 KB

english, 2005

33

Ab initio study of the electronic structure of manganese carbide

Kalemos, Apostolos, Dunning, Thom H., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 348 KB

english, 2006

34

Electronic structure of linear TiCH

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

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 319 KB

english, 2003

35

Electronic structure determination of chromium boride cation, CrB[sup +]

Kalemos, Apostolos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 438 KB

english, 2000

36

On symmetry breaking in BNB: Real or artifactual?

Kalemos, Apostolos, Dunning, Thom H., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 332 KB

english, 2004

37

The electronic structure and bonding of AlNAl

Kalemos, Apostolos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 781 KB

english, 2009

38

The electronic structure of Ti2 and Ti2+

Kalemos, Apostolos, Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

39

The electronic structure of the two lowest states of CuC

Kalemos, Apostolos, Dunning, Thom H., Mavridis, Aristides

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 246 KB

english, 2008

40

A new, definitive analysis of a very old spectrum: The highly perturbed A2Πu–X 2Πg band system of the chlorine cation (Cl[sub 2][sup +])

Gharaibeh, Mohammed A., Clouthier, Dennis J., Kalemos, Apostolos, Lefebvre-Brion, Hélène, Field, Robert W.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.73 MB

english, 2012

41

Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2+), and anionic (Fe2−) species

Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.24 MB

english, 2015

42

Comment on “Insights into the Electronic Structure of Ozone and Sulfur Dioxide from Generalized Valence Bond Theory: Bonding in O 3 and SO 2 .”

Kalemos, Apostolos

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 456 KB

english, 2015

43

[Advances in Quantum Chemistry] Volume 32 || On the Electronic Structure of ScB+: Ground and Low-Lying Excited States

Kalemos, Apostolos

Year:

1998

Language:

english

File:

PDF, 812 KB

english, 1998

44

Revisiting the symmetry breaking in the X̃2Σu+ state of BNB

Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 777 KB

english, 2016

45

The nature of the chemical bond in Be 2+ , Be 2 , Be 2− , and Be 3

Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 8.10 MB

english, 2016

46

The nature of the chemical bond in BeO 0,− , BeOBe +,0,− , and in their hydrogenated products HBeO 0,− , BeOH, HBeOH, BeOBeH +,0,− , and HBeOBeH

Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.50 MB

english, 2017

47

Hypervalent Bonding in the OF( a 4 Σ − ), SF( a 4 Σ − ), SF 5 /SF 6 and OSF 4 Species

Kalemos, Apostolos

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 1.52 MB

english, 2018

48

The nature of the chemical bond in borazine (B 3 N 3 H 6 ), boroxine (B 3 O 3 H 3 ), carborazine (B 2 N 2 C 2 H 6 ), and related species

Kalemos, Apostolos

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 927 KB

english, 2018

49

The Nature of the Chemical Bond in BeF − and Related Species

Kalemos, Apostolos

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 324 KB

english, 2018

50

Response to “Comment on ‘Fe 2 : As simple as a Herculean labour. Neutral (Fe 2 ), cationic (Fe 2+ ), and anionic (Fe 2− ) species”’ [J. Chem. Phys. 144 , 027101 (2016)]

Kalemos, Apostolos

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 282 KB

english, 2016