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1

Towards a unified formulation of dynamics and thermodynamics II. Dissipative processes and entropy production

Ivana Paidarová, Philippe Durand

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 151 KB

english, 2011

2

Ionization of the hydrogen atom: from weak to strong static electric fields

Ph Durand, I. Paidarová

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2003

Language:

english

File:

PDF, 506 KB

english, 2003

3

Towards a unified formulation of dynamics and thermodynamics. I. From microscopic to macroscopic time scales

Philippe Durand, Ivana Paidarová

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 208 KB

english, 2011

4

Convergence studies in quantum perturbation theory

Philippe Durand, Jiří Savrda, Ivana Paidarová

Journal:

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

Year:

1994

Language:

english

File:

PDF, 664 KB

english, 1994

5

From Effective Hamiltonians to Fluctuation and Dissipation

Philippe Durand, Ivana Paidarová

Journal:

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

Year:

2006

Language:

english

File:

PDF, 195 KB

english, 2006

6

Joint Experimental and Theoretical Study on Vibrational Excitation Cross Sections for Electron Collisions with Diacetylene

Čurík, Roman, Paidarová, Ivana, Allan, Michael, Čársky, Petr

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 6.74 MB

english, 2014

7

AIP Conference Proceedings [AIP INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009) - Rhodes, Greece (29 September–4 October 2009)] - A comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane

Paidarová, Ivana, Sauer, Stephan P. A.

Year:

2012

Language:

english

File:

PDF, 217 KB

english, 2012

8

investigated with the method of analytic continuation

Čurík, Roman, Paidarová, I., Horáček, J.

Journal:

Physical Review A

Year:

2018

Language:

english

File:

PDF, 297 KB

english, 2018

9

On the fragmentation dynamics of NH3 → NH2 + H. I. MRD CI potential energy surfaces

Rudolf Polák, Ivana Paidarová, Vladimír Sîpirko, Philip J. Kuntz

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 747 KB

english, 1996

10

Convergence studies in the theory of effective Hamiltonians

Philippe Durand, Ivana Paidarová

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 713 KB

english, 1996

11

On the fragmentation dynamics of NH3 → NH2 + H. II. Diatomics-in-molecules potential energy surfaces

Rudolf Polák, Ivana Paidarová, Philip J. Kuntz

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 271 KB

english, 1997

12

The Temperature Dependence and Isotope Shift of Nitrogen Shielding in Ammonia

I. Paidarova, V. Spirko, J. Oddershede

Journal:

Journal of Molecular Spectroscopy

Year:

1993

File:

PDF, 143 KB

1993

13

Hermitean DIM model for potential energy surfaces relevant to chemiionization processes

J. Vojtík, I. Paidarová

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 409 KB

english, 1983

14

A semi-empirical dim calculation of the resonant energy and autoionization width of the He(23S)—H2 system

J. Vojtík, I. Paidarová

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 380 KB

english, 1984

15

Non-Hermitean DIM approach to the calculation of the resonant energy and width for chemiionization processes

J. Vojtík, I. Paidarová

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 377 KB

english, 1985

16

Ab initio calculation of deuteron quadrupole coupling constants for low-lying rovibrational levels of HD in its X 1Σg+ and B 1Σu+ states

J. Vojtík, I. Paidarová, V. Špirko, J. Šavrda, M. Petráš

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 483 KB

english, 1989

17

Double-minimum B 1∑+ electronic state of BH: rovibrational dependence of the ab initio boron quadrupole coupling constant

J. Šavdra, J. Vojtík, I. Paidarová

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 505 KB

english, 1991

18

The structure of Ar3+

Florent Xavier Gadea, Jiří Šavrda, Ivana Paidarová

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 751 KB

english, 1994

19

Ab initio calculation of nuclear quadrupole coupling constants of rovibrational levels in the three lowest-lying 2Σ+ states of all isotopic variants of LiH+

J. Vojtík, L. C̆ešpiva, J. Šavrda, I. Paidarová

Journal:

Journal of Molecular Spectroscopy

Year:

1990

Language:

english

File:

PDF, 956 KB

english, 1990

20

Theoretical calculations of the nuclear quadrupole coupling in the spectra of D3+, H2D+, and HD2+

Per Jensen, I. Paidarová, J. Vojtík, V. Špirko

Journal:

Journal of Molecular Spectroscopy

Year:

1991

Language:

english

File:

PDF, 1.55 MB

english, 1991

21

The vibrational dependence of the magnetic hyperfine interaction constants of ammonia

Jens Oddershede, Ivana Paidarová, Vladimir Špirko

Journal:

Journal of Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 816 KB

english, 1992

22

Atoms-in-molecules calculations on diatomic fragments of polyatomic systems. HeH and HeH+

R. Polák, J. Vojtík, I. Paidarová, F. Schneider

Journal:

Chemical Physics

Year:

1981

Language:

english

File:

PDF, 939 KB

english, 1981

23

Diatomics-in-molecules model for penning ionization in the He(2 1S)-H2 system

I. Paidarová, J. Vojtík

Journal:

Chemical Physics

Year:

1984

Language:

english

File:

PDF, 594 KB

english, 1984

24

Perturbation non-hermitean DIM scheme for calculations of the width of autoionizing states of collision systems

J. Vojtík, I. Paidarová

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 406 KB

english, 1986

25

Break-down of the born-oppenheimer approximation in the He(23S)-H2 and He(21S)-H2 autoionizing systems?

J. Vojtík, I. Paidarová

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 405 KB

english, 1986

26

Non-adiabatic coupling in the autoionizing He(2 3S)—H2 system

J. Vojtík, I. Paidarová, F. Schneider

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 546 KB

english, 1987

27

Non-adiabatic interaction in the autoionizing singlet He*-H2 system

I. Paidarová, J. Vojtík

Journal:

Chemical Physics

Year:

1988

Language:

english

File:

PDF, 646 KB

english, 1988

28

Nuclear quadrupole coupling constants of rovibrational levels of all isotopic species of BH+ in their X 2Σ+ and B′ 2Σ+ states

J. Vojtík, L. Češpiva, I. Paidarová, J. Šavrda

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 679 KB

english, 1991

29

Ab initio calculation of nuclear quadrupole coupling constants of rovibrational levels in the X 1Σ+ state of all isotopic variants of BH

J. Vojtík, L. Češpiva, I. Paidarová, J. Šavrda

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 638 KB

english, 1991

30

Theoretical calculations of the quartet potential energy surfaces in the NH+ + H2 system

Rudolf Polák, Ivana Paidarová, Philip J. Kuntz

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 722 KB

english, 1993

31

Calculations of magnetic hyperfine structure constants for the low-lying rovibrational levels of LiH, HF, CH+, and BH

Stephan P.A. Sauer, Ivana Paidarová

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 1.26 MB

english, 1995

32

Ab initio calculations for Ar2+, He2+ and He3+, of interest for the modelling of ionic rare-gas clusters

Florent Xavier Gadea, Ivana Paidarová

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 685 KB

english, 1996

33

Modelling of Krn+ clusters (n=2–20). I. Structures and energetics

René Kalus, Ivana Paidarová, Daniel Hrivňák, Petr Paška, Florent Xavier Gadéa

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 366 KB

english, 2003

34

Modelling of Krn+ clusters. II. Photoabsorption spectra of small clusters (n=2–5)

René Kalus, Ivana Paidarová, Daniel Hrivňák, Florent Xavier Gadéa

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 354 KB

english, 2004

35

Modeling of clusters I. Ab initio and analytical potential energy surfaces for the ground state and two lowest excited states of

Ivana Paidarová, Rudolf Polák, Barbora Paulíková, František Karlický, Karel Oleksy, Daniel Hrivňák, Florent Xavier Gadéa, René Kalus

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 325 KB

english, 2007

36

Accurate ab initio calculation of potential energy curves and transition dipole moments of the Xe2+ molecular ion

Ivana Paidarová, Florent Xavier Gadea

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 193 KB

english, 2001

37

The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH− and OH− · H2O

Stephan P.A. Sauer, Vladimír Špirko, Ivana Paidarová, Wolfgang P. Kraemer

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.37 MB

english, 1997

38

The vibrational and temperature dependence of the indirect nuclear spin–spin coupling constants of the oxonium (H3O+) and hydroxyl (OH−) ions

Stephan P.A. Sauer, Christa Kyhn Møller, Henrik Koch, Ivana Paidarová, Vladimı́r Špirko

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 163 KB

english, 1998

39

Calculated rotational and vibrational g factors of LiH X 1Σ+ and evaluation of parameters in radial functions from rotational and vibration-rotational spectra

S. P. A. Sauer, I. Paidarová, J. Oddershede, K. L. Bak, J. F. Ogilvie

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 402 KB

english, 2011

40

Theoretical description of nuclear quadrupole coupling in light diatomic molecules

J. Vojtík, I. Paidarová, V. Špirko, J. Śavrda, M. Petráš

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 614 KB

english, 1990

41

Ab initio calculations of nuclear quadrupole coupling constants of low-lying rovibrational levels in the X1Σ+ and a1Σ+ states of all isotopic species of LiH

I. Paidarová, J. Vojtík, L. Češpiva, J. Š, vrda, V. Špirko

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 579 KB

english, 1990

42

A calculation of the isotropic and anisotropic spectral moments of the dipole oscillator strength distribution of N2

G. H. F. Diercksen, J. Oddershede, I. Paidarova, J. R. Sabin

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 632 KB

english, 1991

43

Correlated and gauge origin independent calculations of magnetic properties

Stephan P. A. Sauer, Ivana Paidarová, Jens Oddershede

Journal:

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

Year:

1994

Language:

english

File:

PDF, 651 KB

english, 1994

44

The relative importance of temperature and isotope effects on the dipole oscillator strength distribution of H2

John R. Sabin, Ivana Paidarová, Jens Oddershede

Journal:

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

Year:

1994

Language:

english

File:

PDF, 466 KB

english, 1994

45

Ab initio excited states calculations of Kr3+, probing semi-empirical modelling

Petr Milko, René Kalus, Ivana Paidarová, Jan Hrušák, Florent Xavier Gadéa

Journal:

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

Year:

2009

Language:

english

File:

PDF, 816 KB

english, 2009

46

Atoms-in-molecules calculations on diatomic fragments of polyatomic systems: HeH, HeH+ and HeH− for a dim model of penning ionization of H2 by He*

I Paidarová, J. Vojtík, R. Polák

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 838 KB

english, 1982

47

DIM model calculations for (O2H)+ interaction potentials

F. Schneider, L. Zülicke, F. DiGiacomo, F.A. Gianturco, I. Paidarová, R. Polák

Journal:

Chemical Physics

Year:

1988

Language:

english

File:

PDF, 852 KB

english, 1988

48

Modified version of the trajectory surface leaking method for dynamical calculations on autoionizing atom-diatom collision systems

J. Vojtík, I. Paidarová

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 738 KB

english, 1991

49

Theoretical model and ab initio calculation of potential energy surfaces for the reaction NH+·(2Π)+H2(1Σ+g)

R. Polák, I. Paidarová, P.J. Kuntz

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 745 KB

english, 1993

50

Ab initio calculation of nuclear quadruple coupling constants of rovibrational levels of 11B2H, 10B1H10B1H in the double-minimum B1Σ+ electronic state

J. Šavrda, J. Vojtík, I. Paidarová

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 979 KB

english, 1993

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