Vladimír Špirko: search on Z-Library

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1

Effective characteristic polynomials and two-point Padé approximants as summation techniques for the strongly divergent perturbation expansions of the ground state energies of anharmonic oscillators

Čížek, Jiří, Weniger, Ernst Joachim, Bracken, Paul, Špirko, Vladimír

Journal:

Physical Review E

Year:

1996

Language:

english

File:

PDF, 889 KB

english, 1996

2

Theoretical Investigations into the Blue-Shifting Hydrogen Bond in Benzene Complexes

Vladimír Špirko, Pavel Hobza

Journal:

Year:

2006

Language:

english

File:

PDF, 130 KB

english, 2006

3

Vibrational spectrum of FHF− from high-level correlated calculations of potential energy surfaces

Vladimir Špirko, Geerd H.F. Diercksen, Andrzej J. Sadlej, Miroslav Urban

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 645 KB

english, 1989

4

Unambiguous analysis of three-spin 12 spectra

Vladimír Špirko, Josef Plíva

Journal:

Journal of Molecular Spectroscopy

Year:

1969

Language:

english

File:

PDF, 333 KB

english, 1969

5

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

6

Ab initio potential energy function and geometry of the Ã state of ammonia

Vladimír Špirko, Poul Jørgensen, Hans Jørgen Aa. Jensen

Journal:

Journal of Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 409 KB

english, 1992

7

Dipole polarizability surfaces of ammonia

Vladimir Špirko, Hans Jørgen Aa. Jensen, Poul Jørgensen

Journal:

Chemical Physics

Year:

1990

Language:

english

File:

PDF, 629 KB

english, 1990

8

Rotation-vibration energies of FHF− and ClHCl− from high-level correlated calculations of potential energy surfaces

Vladimir Špirko, Antonin Čejchan, Geerd H.F. Diercksen

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 921 KB

english, 1991

9

Bound and low-lying quasi-bound rotation–vibration levels of the ground electronic state of

Wolfgang P. Kraemer, Vladimír Špirko

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 220 KB

english, 2006

10

Potential energy curve of Be2 in its ground electronic state

Vladimír Špirko

Journal:

Journal of Molecular Spectroscopy

Year:

2006

Language:

english

File:

PDF, 104 KB

english, 2006

11

A theoretical study of FeNC in the 6Δ electronic ground state

Tsuneo Hirano, Rei Okuda, Umpei Nagashima, Vladimír Špirko, Per Jensen

Journal:

Journal of Molecular Spectroscopy

Year:

2006

Language:

english

File:

PDF, 285 KB

english, 2006

12

An ab initio investigation of the potential energy function and rotation—vibration energies of H2O·Na+

Vladimir Špirko, Nadim M. Daadoch, Hans J∅rgen Aa. Jensen, Poul J∅rgensen, Trygve Helgaker

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 439 KB

english, 1991

13

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

14

Potential energy surface and ro-vibrational energies of Ne in the ground electronic state

Milan Šindelka, Vladimír Špirko, Jan Urban, Pavel Mach, Jerzy Leszczynski

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 309 KB

english, 2002

15

Radiative transition probabilities of CO2+

Tereza Šedivcová-Uhlíková, Petra R. Kaprálová-Žďánská, Vladimír Špirko

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 223 KB

english, 2007

16

The magnetizability and g-factor surfaces of ammonia

Stephan P.A. Sauer, Vladimír Špirko, Jens Oddershede

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 766 KB

english, 1991

17

The vibrational and temperature dependence of the magnetic properties of the oxonium ion (H3O+)

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

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 853 KB

english, 1994

18

Statistical properties of the energies and electric dipole moments of the bound vibrational states of the system HCO+/COH+

Wolfgang P. Kraemer, Vladimír Špirko

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 724 KB

english, 2010

19

Radiative association of LiHe+

Lucie Augustovičová, Vladimír Špirko, Wolfgang P. Kraemer, Pavel Soldán

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 363 KB

english, 2012

20

Sugar Pucker Modulates the Cross-Correlated Relaxation Rates across the Glycosidic Bond in DNA

Sychrovský, Vladimír, Müller, Norbert, Schneider, Bohdan, Smrečki, Vilko, Špirko, Vladimir, Šponer, Jiří, Trantírek, Lukáš

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 96 KB

english, 2005

21

Anti-Hydrogen Bond in the Benzene Dimer and Other Carbon Proton Donor Complexes

Hobza, Pavel, Špirko, Vladimír, Selzle, Heinrich L., Schlag, Edward W.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 56 KB

english, 1998

22

Assigning the NH Stretches of the Guanine Tautomers Using Adiabatic Separation: CCSD(T) Benchmark Calculations

Nachtigallová, Dana, Hobza, Pavel, Špirko, Vladimír

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 62 KB

english, 2008

23

Highly Sensitive Ammonia Probes of a Variable Proton-to-Electron Mass Ratio

Špirko, Vladimír

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 554 KB

english, 2014

24

Vibrational Energies of LiH 2+ and LiD 2+ in the Ã 1 Σ + Electronic State

Kraemer, Wolfgang P., Špirko, Vladimír

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.38 MB

english, 2011

25

Dependence of the l -Alanyl- l -Alanine Conformation on Molecular Charge Determined from Ab Initio Computations and NMR Spectra

Sychrovský, Vladimír, Buděšínský, Miloš, Benda, Ladislav, Špirko, Vladimír, Vokáčová, Zuzana, Šebestík, Jaroslav, Bouř, Petr

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 448 KB

english, 2008

26

A Complete Set of NMR Chemical Shifts and Spin−Spin Coupling Constants for l -Alanyl- l -alanine Zwitterion and Analysis of Its Conformational Behavior

Bouř, Petr, Buděšínský, Miloš, Špirko, Vladimír, Kapitán, Josef, Šebestík, Jaroslav, Sychrovský, Vladimír

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 427 KB

english, 2005

27

Quasiplanarity of the Peptide Bond

Chalupský, Jakub, Vondrášek, Jiří, Špirko, Vladimír

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 137 KB

english, 2008

28

Zero Kinetic Energy (ZEKE) Photoelectron Spectroscopic Study of Thioanisole and Its van der Waals Complexes with Argon

Vondrák, Tomáš, Sato, Shin-ichiro, Špirko, Vladimír, Kimura, Katsumi

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 256 KB

english, 1997

29

Improper, Blue-Shifting Hydrogen Bond between Fluorobenzene and Fluoroform †

Reimann, Bernd, Buchhold, Konstantin, Vaupel, Sascha, Brutschy, Bernhard, Havlas, Zdeněk, Špirko, Vladimír, Hobza, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 76 KB

english, 2001

30

Frequency-dependent polarizabilities and first hyperpolarizabilities of H2O

Luo, Yi, Ågren, Hans, Vahtras, Olav, Jo̸rgensen, Poul, Spirko, Vladimir, Hettema, Hinne

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 621 KB

english, 1993

31

The ab initio assigning of the vibrational probing modes of tryptophan: linear shifting of approximate anharmonic frequencies vs. multiplicative scaling of harmonic frequencies

Kabeláč, Martin, Hobza, Pavel, Špirko, Vladimír

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 736 KB

english, 2009

32

Why is the N1–H stretch vibration frequency of guanine shifted upon dimerization to the red and the amino N–H stretch vibration frequency to the blue?

Hobza, Pavel, Špirko, Vladimír

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 212 KB

english, 2003

33

The structure and vibrational dynamics of the pyrrole dimer

Kabeláč, Martin, Hobza, Pavel, Špirko, Vladimír

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 579 KB

english, 2009

34

Solution of the One-Dimensional Schroedinger Equation by the Combined Use of Symbolic and Numerical Computation

Bludsky, Ota, Spirko, Vladimir, Cizek, Jiri

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 292 KB

english, 1995

35

Vibrational dependence of the dipole moment and radiative transition probabilities in the X1Sigma + state of HF: a linear-response coupled-cluster study

PIECUCH, PIOTR, SPIRKO, VLADIMIR, KONDO, ANNE E., PALDUS, JOSEF

Journal:

Molecular Physics

Year:

1998

Language:

english

File:

PDF, 248 KB

english, 1998

36

Double Tunneling: An Overlooked Quantum Effect in Anionic Molecular Clusters

Jungwirth, Pavel, Špirko, Vladimír

Journal:

Physical Review Letters

Year:

2000

Language:

english

File:

PDF, 186 KB

english, 2000

37

Dipole hyperpolarizability surfaces of ammonia

Spirko, Vladimir, Luo, Yi, Ågren, Hans, Jo̸rgensen, Poul

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 557 KB

english, 1993

38

Relation between properties of long-range diatomic bound states

Špirko, Vladimír, Sauer, Stephan P. A., Szalewicz, Krzysztof

Journal:

Physical Review A

Year:

2013

Language:

english

File:

PDF, 266 KB

english, 2013

39

Localised quantum states of atomic and molecular particles physisorbed on carbon-based nanoparticles

Kaprálová-Žďánská, Petra Ruth, Trachta, Michal, Bludský, Ota, Špirko, Vladimír

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.26 MB

english, 2014

40

Vibrational dynamics of adsorbed CO2: Separability of the CO2 asymmetric stretching mode

Bludský, Ota, Nachtigall, Petr, Špirko, Vladimír

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2011

Language:

english

File:

PDF, 365 KB

english, 2011

41

Potential energy curve of N2 revisited

Špirko, Vladimír, Li, Xiangzhu, Paldus, Josef

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2011

Language:

english

File:

PDF, 635 KB

english, 2011

42

Potential Energy Curve of N2 in Its Ground Electronic State

Špirko, Vladimír

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2005

Language:

english

File:

PDF, 75 KB

english, 2005

43

The Infrared Spectrum of CN in Its Ground Electronic State

Horká, Veronika, Civiš, Svatopluk, Špirko, Vladimír, Kawaguchi, Kentarou

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2004

Language:

english

File:

PDF, 149 KB

english, 2004

44

Ab initio calculations of vibrational spectra of nonrigid molecules

Carsky, Petr., Spirko, Vladimir., Hess, B. Andes., Schaad, Lawrence J.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 508 KB

english, 1990

45

Morphing ab initio potential energy curve of beryllium monohydride

Špirko, Vladimír

Journal:

Journal of Molecular Spectroscopy

Year:

2016

Language:

english

File:

PDF, 503 KB

english, 2016

46

Dissociative recombination of N 2 H + ions with electrons in the temperature range of 80–350 K

Shapko, Dmytro, Dohnal, Petr, Kassayová, Miroslava, Kálosi, Ábel, Rednyk, Serhiy, Roučka, Štěpán, Plašil, Radek, Augustovičová, Lucie D., Johnsen, Rainer, Špirko, Vladimír, Glosík, Juraj

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.30 MB

2020