Vojtěch Hrouda: search on Z-Library

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1

The C 4 H 6•+ Potential Energy Surface. 2. The Reaction of Ethylene Radical Cation with Acetylene

Hrouda, Vojtěch, Čársky, Petr, Ingr, Marek, Chval, Zdenek, Sastry, G. Narahari, Bally, Thomas

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 226 KB

english, 1998

2

Cubic-grid Gaussian basis sets for electron scattering calculations. I. Definition and construction

Petr Čársky, Vojtéch Hrouda, Josef Michl

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.53 MB

english, 1995

3

Cubic-grid Gaussian basis sets for electron scattering calculations. II. Matrix elements

Petr Čársky, Vojtěch Hrouda, Josef Michl

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 447 KB

english, 1995

4

Cubic-grid Gaussian basis sets for electron scattering calculations. III. Effect of basis-set translation and size on the calculated cross section

Petr Čársky, Vojtěch Hrouda, Josef Michl, Dean Antic

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.06 MB

english, 1995

5

New general formulas for matrix elements of the free-particle Green's function over Cartesian Gaussians

Petr Čársky, Vojtěch Hrouda, Martin Polášek

Journal:

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

Year:

1996

Language:

english

File:

PDF, 421 KB

english, 1996

6

Proton Transfer in the Adenine-Thymine Base Pair

Florian, Jan, Hrouda, Vojtech, Hobza, Pavel

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 544 KB

english, 1994

7

Cubic-grid Gaussian basis sets for electron scattering calculations IV

Vojtěch Hrouda, Martin Polášek, Petr Čársky, Josef Michl

Journal:

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

Year:

1994

Language:

english

File:

PDF, 591 KB

english, 1994

8

The C 4 H 6•+ Potential Energy Surface. 1. The Ring-Opening Reaction of Cyclobutene Radical Cation and Related Rearrangements

Sastry, G. Narahari, Bally, Thomas, Hrouda, Vojtech, Cársky, Petr

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 190 KB

english, 1998

9

Brillouin-Wigner Perturbation Theory as a Possible more Effective Alternative to Many-Body Rayleigh-Schrodinger Perturbation Theory and Coupled Cluster Theory

Čársky, Petr, Hrouda, Vojtěch, Sychrovský, Vladimír, Hubač, Ivan, Babinec, Peter, Mach, Pavol, Urban, Ján, Mášik, Jozef

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1995

Language:

english

File:

PDF, 62 KB

english, 1995

10

Scaled quantum mechanical force fields and vibrational spectra of solid state nucleic acid constituents V: thymine and uracil

Jan Florián, Vojtěch Hrouda

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1993

Language:

english

File:

PDF, 1.16 MB

english, 1993

11

Vibrational dynamics of the benzene…argon complex

Ota Bludský, Vladimír S̆pirko, Vojtĕch Hrouda, Pavel Hobza

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 495 KB

english, 1992

12

The C 4 H 4•+ Potential Energy Surface. 2. The Jahn−Teller Stabilization of Ionized Tetrahedrane and Its Rearrangement to Cyclobutadiene Radical Cation †,1

Hrouda, Vojtěch, Bally, Thomas, Čársky, Petr, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 255 KB

english, 1997

13

Double Proton Transfer: From the Formamide Dimer to the Adenine.cntdot..cntdot..cntdot.Thymine Base Pair

Hrouda, Vojtech, Florian, Jan, Polasek, Martin, Hobza, Pavel

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 2.20 MB

english, 1994

14

Structure, energetics, and harmonic vibrational spectra of the adenine-thymine and adenine-thymine base pairs: gradient nonempirical and semiempirical study

Hrouda, Vojtech, Florian, Jan, Hobza, Pavel

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.65 MB

english, 1993

15

The C 4 H 4•+ Potential Energy Surface. 3. The Reaction of Acetylene with Its Radical Cation

Hrouda, Vojtěch, Roeselová, Martina, Bally, Thomas

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 322 KB

english, 1997

16

Cubic-Grid Gaussian Basis Sets for Electron-Scattering Calculations. 6. Applications to H 2 , H 2 O, and CH 4

Čársky, Petr, Hrouda, Vojtěch, Polášek, Martin, David, Donald E., Antic, Dean, Michl, Josef

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 218 KB

english, 1997

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