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1

Relativistic effects in HgHe and HgXe CCSD(T) ground state potential curves. Low-density viscosity simulations of Hg:Xe mixture

Lukáš Bučinský, Stanislav Biskupič, Michal Ilčin, Vladimír Lukeš, Viliam Laurinc

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 333 KB

english, 2011

2

Perturbative formulation of dispersion contributions to interaction energy of van der Waals systems of ?closed-shell-open-shell? type

Luke?, Vladim�r, Laurinc, Viliam, Biskupi?, Stanislav

Journal:

Journal of Computational Chemistry

Year:

1999

Language:

english

File:

PDF, 214 KB

english, 1999

3

Perturbative calculation of the Hartree–Fock interaction energy using orthogonalized orbitals

Vladimír Lukeš, Viliam Laurinc, Stanislav Biskupič

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 115 KB

english, 1999

4

On the Relation Between Conformational Changes and Optical Properties in Oligothiophenes, 2. Linear and Nonlinear Optical Properties

Vladimír Lukeš, Martin Breza, Tibor Pálszegi, Viliam Laurinc, Imrich Vrábel

Journal:

Macromolecular Theory and Simulations

Year:

2001

Language:

english

File:

PDF, 138 KB

english, 2001

5

On relativistic effects in ground state potential curves of Zn2, Cd2, and Hg2 dimers. A CCSD(T) study

Lukáš Bučinský, Stanislav Biskupič, Michal Ilčin, Vladimír Lukeš, Viliam Laurinc

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 186 KB

english, 2009

6

On the relation between conformational changes and electronic structure defects in polypyrrole

Martin Breza, Viliam Laurinc

Journal:

Macromolecular Theory and Simulations

Year:

1996

Language:

english

File:

PDF, 451 KB

english, 1996

7

The role of fourth-order terms in MBPT calculations of the correlation energy

Vladimir Kvasnička, Viliam Laurinc, Stanislav Biskupič

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 440 KB

english, 1979

8

On the structure and physical origin of the interaction between lithium and acetylene molecule

Vladimı́r Lukeš, Michal Ilčin, Viliam Laurinc, Stanislav Biskupič

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 310 KB

english, 2004

9

Ab initio study of Hg(1S0)⋯ van der Waals complex

Michal Ilčin, Vladimír Lukeš, Viliam Laurinc, Stanislav Biskupič

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 187 KB

english, 2008

10

On the structure and physical origin of van der Waals interaction in zinc, cadmium and mercury dimers

Vladimír Lukeš, Michal Ilčin, Viliam Laurinc, Stanislav Biskupič

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 155 KB

english, 2006

11

Structure dependence of optical properties of bridged bis-thienyls. I. Simple five-membered aromatic bridges

Vladimı́r Lukeš, Martin Breza, Viliam Laurinc

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 181 KB

english, 2002

12

Ab initio study of the F2(X 1Σg+)–H(2S) van der Waals complex

Vladimı́r Lukeš, Martina Bittererová, Viliam Laurinc, Stanislav Biskupič

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 209 KB

english, 2000

13

Ab initio study of the Li(2S)–H2(X 1Σg+) van der Waals complex

Vladimı́r Lukeš, Imrich Vrábel, Viliam Laurinc, Stanislav Biskupič

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 142 KB

english, 2001

14

On the diffusion coefficients and stability of van der Waals complex Hg… N2

Michal Ilc̆in, Vladimír Lukeš, Lukáš Buc̆inský, Viliam Laurinc, Stanislav Biskupic̆

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 299 KB

english, 2008

15

Calculation of correlation energy by many-body diagrammatic perturbation theory

Vladimír Kvasnička, Viliam Laurinc

Journal:

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

Year:

1977

Language:

english

File:

PDF, 371 KB

english, 1977

16

Calculation of correlation energy by many-body diagrammatic perturbation theory

Vladimír Kvasnička, Viliam Laurinc

Journal:

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

Year:

1977

Language:

english

File:

PDF, 371 KB

english, 1977

17

Nature of interaction energy anisotropy in the Li(2S)–HF (˜X1Σ+) van der Waals complex. A theoretical study

Vladimir Lukeš, Martina Bittererová, Stanislav Biskupic, Viliam Laurinc

Journal:

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

Year:

2003

Language:

english

File:

PDF, 595 KB

english, 2003

18

Perturbation calculation of the interaction energy using orthogonalized orbitals

Viliam Laurinc, Vladimír Lukeś, Stanislav Biskupič

Journal:

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

Year:

1998

Language:

english

File:

PDF, 316 KB

english, 1998

19

On the structure and physical origin of weak interaction between H and CO2

Vladimı́r Lukeš, Michal Ilčin, Viliam Laurinc, Stanislav Biskupič

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 332 KB

english, 2003

20

Synthesis, theoretical characterisation and spectra of thiophene–fluorene π-conjugated derivatives

Vladimír Lukeš, Daniel Végh, Pavol Hrdlovič, Martin Štefko, Katarína Matuszná, Viliam Laurinc

Journal:

Synthetic Metals

Year:

2005

Language:

english

File:

PDF, 313 KB

english, 2005

21

Structure, electronic and optical characterization of oligothiophenes terminated with (9H-fluoren-9-ylidene)methyl chromophores

Vladimír Lukeš, Martin Matis, Daniel Végh, Martin Štefko, Pavol Hrdlovič, Viliam Laurinc

Journal:

Synthetic Metals

Year:

2007

Language:

english

File:

PDF, 956 KB

english, 2007

22

The synthesis and electron structure of oligothiophenes terminated with (10H-anthracen-9-one) methylene chromophores

Vladimír Lukeš, Ivan Hrablay, Roland Šolc, Daniel Végh, Pavol Hrdlovič, Viliam Laurinc

Journal:

Synthetic Metals

Year:

2009

Language:

english

File:

PDF, 1.10 MB

english, 2009

23

Non-linear optical properties of new bridged bis-thienyls: I. Pyrazine-based bridges: theory, synthesis and spectra

Vladimı́r Lukeš, Martin Breza, Daniel Végh, Pavol Hrdlovič, Jozef Krajèovič, Viliam Laurinc

Journal:

Synthetic Metals

Year:

2001

Language:

english

File:

PDF, 168 KB

english, 2001

24

Optical properties of 2,3-diaza-1,3-butadiene bridged oligothiophenes: A combined experimental and theoretical study

Vladimı́r Lukeš, Martin Breza, Daniel Végh, Pavol Hrdlovič, Jozef Krajčovič, Viliam Laurinc

Journal:

Synthetic Metals

Year:

2002

Language:

english

File:

PDF, 187 KB

english, 2002

25

Optical properties of furanic and thiophenic ethane-1,2-diones: A combined experimental and theoretical study

Vladimı́r Lukeš, Martin Breza, Daniel Végh, Pavol Hrdlovič, Viliam Laurinc

Journal:

Synthetic Metals

Year:

2003

Language:

english

File:

PDF, 212 KB

english, 2003

26

Ab Initio Study of the HF(Χ 1 )−H( 2 S) van der Waals Complex

Lukeš, Vladimír, Vrábel, Imrich, Laurinc, Viliam, Biskupič, Stanislav

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 90 KB

english, 2001

27

Ab Initio Study of the Ne( 1 S)−CN( 2 Σ + ) van der Waals Complex

Vrábel, Imrich, Lukeš, Vladimír, Laurinc, Viliam, Biskupič, Stanislav

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 87 KB

english, 2000

28

Ab initio X 1 0 + ground state potential curves of Pb⋯RG dimers (RG = He, Ne, Ar) including spin–orbit effects. Simulation of diffusion coefficients

Sladek, Vladimir, Bučinský, Lukáš, Matuška, Ján, Ilčin, Michal, Lukeš, Vladimír, Laurinc, Viliam

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.48 MB

english, 2014

29

On the structure and physical origin of the interaction in H[sub 2]⋯Cl[sup −] and H[sub 2]⋯Br[sup −] van der Waals anion complexes

Lukeš, Vladimı́r, Ilčin, Michal, Laurinc, Viliam, Biskupič, Stanislav

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 464 KB

english, 2004

30

Wigner's (2 n + 1) rule in MBPT

Kvasnička, Vladimír, Laurinc, Viliam, Biskupič, Stanislav

Journal:

Molecular Physics

Year:

1980

Language:

english

File:

PDF, 783 KB

english, 1980

31

Theoretical Study of the vdW Complex Cd···N2

Ilčin, Michal, Lukeš, Vladimír, Laurinc, Viliam, Biskupič, Stanislav

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2008

Language:

english

File:

PDF, 127 KB

english, 2008

32

Ab initio Study of the Li-CO van der Waals Complex

Lukeš, Vladimír, Laurinc, Viliam, Ilčin, Michal, Biskupič, Stanislav

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

33

On the Structure and Physical Origin of the Weak Interaction Between H and CO

Lukeš, Vladimír, Laurinc, Viliam, Ilčin, Michal, Biskupič, Stanislav

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2004

Language:

english

File:

PDF, 132 KB

english, 2004

34

Theoretical Study of H2...I- van der Waals Anion Complex

Ilčin, Michal, Lukeš, Vladimír, Laurinc, Viliam, Biskupič, Stanislav

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2005

Language:

english

File:

PDF, 473 KB

english, 2005