Špirko, Vladimı́r: search on Z-Library

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1

Anharmonic and harmonic intermolecular vibrational modes of the DNA base pairs

Špirko, Vladimı́r, Šponer, Jiřı́, Hobza, Pavel

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 380 KB

english, 1997

2

Vibrational predissociation of H[sub 5][sup +]

Špirko, Vladimír, Amano, Takayoshi, Kraemer, Wolfgang P.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 96 KB

english, 2006

3

Ab initio vibrational dynamics of molecular hydrogen on graphene: An effective interaction potential

Špirko, Vladimír, Rubeš, Miroslav, Bludský, Ota

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 655 KB

english, 2010

4

Variational calculations on the Ag vibrational states, the automerization, and the predicted Raman spectrum of cyclobutadiene

Čársky, Petr, Špirko, Vladimír, Hess, B. Andes, Schaad, Lawrence J.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 769 KB

english, 1990

5

An ab initio quartic force field and the fundamental frequencies ofo-benzyne

Ota Bludsky´, Vladimi´r Sˇpirko, Rika Kobayashi, Poul Jørgensen

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 416 KB

english, 1994

6

Rayleigh–Schrödinger perturbation theory for coupled oscillators. III. Curve-crossing problems

Špirko, Vladimı́r, Čı́žek, Jiřı́

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 389 KB

english, 1997

7

Nonadiabatic corrections for coupled oscillators using Rayleigh–Schrödinger perturbation theory of very high orders

Špirko, Vladimír, Čížek, Jiří

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 431 KB

english, 1995

8

Ab initio calculations on the energy of activation and tunneling in the automerization of cyclobutadiene

Čársky, Petr, Bartlett, Rodney J., Fitzgerald, George, Noga, Jozef, Špirko, Vladimír

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 693 KB

english, 1988

9

Tuning ab initio data to scattering length: The a [sup 3]Σ[sup +] state of KRb

Soldán, Pavel, Špirko, Vladimír

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 76 KB

english, 2007

10

Ab initio calculations of anharmonic vibrational transition intensities of trans-2,3-dideuteriooxirane

Bludský, Ota, Bak, Keld L., Jo̸rgensen, Poul, Špirko, Vladimír

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 347 KB

english, 1995

11

Propargylene: A C3H2 isomer with unusual bonding

Maier, Günther, Reisenauer, Hans Peter, Schwab, Wolfgang, Čársky, Petr, Špirko, Vladimír, Hess, B. Andes, Schaad, Lawrence J.

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1.01 MB

english, 1989

12

Amino groups in nucleic acid bases, aniline, aminopyridines, and aminotriazine are nonplanar: Results of correlated ab initio quantum chemical calculations and anharmonic analysis of the aniline inversion motion

Bludský, Ota, Šponer, Jiří, Leszczynski, Jerzy, Špirko, Vladimír, Hobza, Pavel

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 383 KB

english, 1996

13

Effective potential energy curves of the ground electronic state of CH+

Sauer, Stephan P. A., Špirko, Vladimír

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 620 KB

english, 2013

14

Ab initio study of the phenol-water cation radical

Hobza, Pavel, Burcl, Rudolf, Špirko, Vladimír, Dopfer, Otto, Müller-Dethlefs, Klaus, Schlag, Edward W.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 873 KB

english, 1994

15

Molecular quadrupole moment functions of HF and N2. II. Rovibrational effects

Špirko, Vladimír, Piecuch, Piotr, Kondo, Anne E., Paldus, Josef

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 437 KB

english, 1996

16

Electrons weakly bound to hydrogen bonded clusters: A pseudopotential model including dispersion interactions

Šindelka, Milan, Špirko, Vladimı́r, Jungwirth, Pavel

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 385 KB

english, 2002

17

Ab initio calculations on Ar–NO+: Structure and vibrational frequencies

Wright, Timothy G., Špirko, Vladimír, Hobza, Pavel

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 965 KB

english, 1994

18

Molecular quadrupole moment functions of HF and N2. I. Ab initio linear-response coupled-cluster results

Piecuch, Piotr, Kondo, Anne E., Špirko, Vladimír, Paldus, Josef

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 547 KB

english, 1996

19

On the use of divergent series in vibrational spectroscopy. Two- and three-dimensional oscillators

Čížek, Jiří, Špirko, Vladimír, Bludský, Ota

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 646 KB

english, 1993

20

Probing the Flexibility of Internal Rotation in Silylated Phenols with the NMR Scalar Spin−Spin Coupling Constants

Benda, Ladislav, Prokop, Alexandr, Blechta, Vratislav, Schraml, Jan, Špirko, Vladimír

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 572 KB

english, 2008

21

Structure and vibrational dynamics of the benzene dimer

Špirko, Vladimı́r, Engkvist, Ola, Soldán, Pavel, Selzle, Heinrich L., Schlag, Edward W., Hobza, Pavel

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 377 KB

english, 1999

22

Radiative association of HeH[sub 2][sup +]

Mrugała, Felicja, Špirko, Vladimír, Kraemer, Wolfgang P.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 446 KB

english, 2003

23

The intermolecular potential energy surface of the Ar⋅NO+ cationic complex

Bush, Andrew M., Wright, Timothy G., Špirko, Vladimı́r, Juřek, Michael

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 362 KB

english, 1997

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