- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Pavel Hobza
- Michal Pitoňák*, Francesco Aquilante, Pavel Hobza, Pavel Neogrády, Jozef Noga and Miroslav Urban
Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals
2011, Vol. 76, Issue 6, pp. 713–742 [Abstract] - Tomáš Zelený, Pavel Hobza, Dana Nachtigallová*, Matthias Ruckenbauer and Hans Lischka*
Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA
2011, Vol. 76, Issue 6, pp. 631–643 [Abstract] - Adam Pecina, Ondřej Přenosil, Jindřich Fanfrlík, Jan Řezáč, Jaroslav Granatier, Pavel Hobza* and Martin Lepšík*
On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes
2011, Vol. 76, Issue 5, pp. 457–479 [Abstract] - Jan Řezáč, Petr Jurečka, Kevin E. Riley, Jiří Černý, Haydee Valdes, Kristýna Pluháčková, Karel Berka, Tomáš Řezáč, Michal Pitoňák, Jiří Vondrášek and Pavel Hobza*
Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples
2008, Vol. 73, Issue 10, pp. 1261–1270 [Abstract] [Full text pdf] - Jan Řezáč, Karel Berka, Dominik Horinek, Pavel Hobza* and Jiří Vondrášek*
The Stabilization Energy of the GLU-LYS Salt Bridge in the Protein/Water Environment: Correlated Quantum Chemical ab initio, DFT and Empirical Potential Studies
2008, Vol. 73, Issue 6-7, pp. 921–936 [Abstract] - Weizhou Wang and Pavel Hobza*
Application of Berlin's Theorem to Bond-Length Changes in Isolated Molecules and Red- and Blue-Shifting H-Bonded Clusters
2008, Vol. 73, Issue 6-7, pp. 862–872 [Abstract] - Jan Řezáč and Pavel Hobza*
Correlation Between the Thermodynamic Stability of DNA Duplexes and the Interaction and Solvation Energies of DNA Building Blocks
2008, Vol. 73, Issue 2, pp. 161–174 [Abstract] - Pavel Hobza*, Rudolf Zahradník and Klaus Müller-Dethlefs*
The World of Non-Covalent Interactions: 2006
2006, Vol. 71, Issue 4, pp. 443–531 [Abstract] [Full text pdf] - Jindřich Fanfrlík, Jaroslav Rejnek, Michal Hanus and Pavel Hobza*
Hydration Gibbs Energies of Nucleic Acid Bases Determined by Gibbs Energy Perturbation, Continuous and Hybrid Approaches
2005, Vol. 70, Issue 11, pp. 1756–1768 [Abstract] - Jiří Šponer* and Pavel Hobza*
Molecular Interactions of Nucleic Acid Bases. A Review of Quantum-Chemical Studies
2003, Vol. 68, Issue 12, pp. 2231–2282 [Abstract] - Pavel Hobza and Zdeněk Havlas
Counterpoise-Corrected Potential Energy Surfaces of Simple Hydrogen-Bonded Systems
1998, Vol. 63, Issue 9, pp. 1343–1354 [Abstract] - Rudolf Zahradník, Pavel Hobza, Blanka Wichterlová and Jiří Čejka
Isomorphous Substitution of Si for Al, Ga, Fe, In and B in Molecular Sieves of MFI Structure. A Quantum Chemical, Ammonia Desorption and Catalytic Activity Study of Framework Si-OH-M Acid Site Strength
1993, Vol. 58, Issue 10, pp. 2474–2488 [Abstract] - Pavel Hobza and Rudolf Zahradník
World of van der Waals Species
1993, Vol. 58, Issue 7, pp. 1465–1475 [Abstract] - Ladislav Češpiva, Vlasta Bonačič-Koutecký, Jaroslav Koutecký, Per Jensen, Vojtěch Hrouda, Petr Čársky, Vladimír Špirko and Pavel Hobza
Ab initio Calculations of the Rotation-Vibration Spectrum of Na3+
1993, Vol. 58, Issue 1, pp. 24–28 [Abstract] - Pavel Hobza, Heinrich L. Selzle and Edward W. Schlag
High Level ab initio Calculations on Acetylene Dimer - A Prototype for Estimation of the Accuracy of the Benzene Dimer Stabilization Energy
1992, Vol. 57, Issue 6, pp. 1186–1190 [Abstract] - Rudolf Zahradník, Zdeněk Havlas, B. Andes Hess, Jr. and Pavel Hobza
Properties and reactivity of first and second row hydrides. Introductory remarks, isomerizations, and inversion barriers of the AH2, AH3, AH4 and related systems
1990, Vol. 55, Issue 4, pp. 869–889 [Abstract] - Helena Petrusová, Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
A theoretical study on acetylene dimer, acetylene-s-tetrazine and acetylene-benzene associates
1988, Vol. 53, Issue 11, pp. 2495–2502 [Abstract] - Pavel Hobza and Paul von Ragué Schleyer
On the nature of the bonding in X-Be-O molecules (X = He, Ne, Ar)
1988, Vol. 53, Issue 10, pp. 2230–2238 [Abstract] - Pavel Hobza and Camille Sandorfy
On the change of the order od stability of DNA base pairs as a result of the methylation of guanine
1988, Vol. 53, Issue 9, pp. 1943–1945 [Abstract] - Miroslav Urban, Soňa Hrivnáková and Pavel Hobza
Ab initio study of the (BH)2 dimer
1980, Vol. 45, Issue 12, pp. 3270–3282 [Abstract] - Pavel Hobza, Jiří Pancíř and Rudolf Zahradník
Nature of stationary points on CNDO/2 energy hypersurfaces of van der Waals molecules formed by polar molecules
1980, Vol. 45, Issue 5, pp. 1323–1330 [Abstract] - Pavel Hobza, Petr Čársky and Rudolf Zahradník
The dimer (HCl)2: Stationary points on the SCF 4-31G energy hypersurface and the role of entropy in the dimer formation
1979, Vol. 44, Issue 12, pp. 3458–3463 [Abstract] - Dietmar Heidrich, Pavel Hobza, Petr Čársky and Rudolf Zahradník
Effect of correlation energy on the stability of classical and nonclassical structures of protonated benzene
1978, Vol. 43, Issue 11, pp. 3020–3023 [Abstract] - Nguyen Duc Thang, Pavel Hobza, Jiří Pancíř and Rudolf Zahradník
Semiempirical energy hypersurface of the formaldehyde-water complex and methyl derivatives thereof
1978, Vol. 43, Issue 5, pp. 1366–1374 [Abstract] - Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
An attempt to construct a hybrid intermolecular potential
1978, Vol. 43, Issue 5, pp. 1356–1365 [Abstract] - Pavel Hobza, Petr Čársky and Rudolf Zahradník
Semiempirical EPCE-F2σ correlation energies for Van der Waals complexes and energies of reaction
1978, Vol. 43, Issue 3, pp. 676–680 [Abstract] - Pavel Hobza, Karel Boček, Hans-Jörg Hofmann and Zdeněk Slanina
Gas phase and liquid phase hydration of methanol: Enthalpy and entropy calculations
1978, Vol. 43, Issue 3, pp. 665–675 [Abstract]
The following name might also represent this author:
P. Hobza
- P. Hobza, R. Stružinský, N. Duc Thang and R. Zahradník
Empirical calculations on interaction energies of clusters of molecules: The correlation with heats of vapourization
1976, Vol. 41, Issue 6, pp. 1727–1739 [Abstract] - P. Hobza and R. Zahradník
Estimates of geometry of molecular complexes based on analysis of intermolecular forces
1976, Vol. 41, Issue 4, pp. 1111–1120 [Abstract] - M. Horák, S. Hilgard and P. Hobza
Stabilization energy of collision complexes and its semiempirical calculations
1975, Vol. 40, Issue 6, pp. 1801–1810 [Abstract] - P. Hobza and R. Zahradník
Semiempirical variation calculations on the interaction energy of two identical nonpolar systems
1975, Vol. 40, Issue 3, pp. 809–814 [Abstract] - R. Zahradník, P. Hobza and Z. Slanina
Calculations of Henry constants and partition coefficients
1975, Vol. 40, Issue 3, pp. 799–808 [Abstract] - P. Hobza and R. Zahradník
Perturbation treatment of the interactions between nonpolar molecule-nonpolar molecule and polar molecule-polar molecule
1974, Vol. 39, Issue 10, pp. 2866–2876 [Abstract] - P. Hobza and R. Zahradník
Weak intermolecular interactions: Introductory remarks and methods used
1974, Vol. 39, Issue 10, pp. 2857–2865 [Abstract] - Z. Slanina, P. Hobza and R. Zahradník
Dimerization of homonuclear biatomic molecules
1974, Vol. 39, Issue 1, pp. 228–235 [Abstract] - I. Nykl, V. Rejholec, P. Hobza, P. Čársky, R. Zahradník and K. Hafner
Conjugated radicals. XVII. Electronic spectra of radical ions derived from pentaleno[6,6a,1,2-def]heptalene and 2-phenylcyclopent[cd]azulene and semiempirical open shell PPP-like calculations
1973, Vol. 38, Issue 5, pp. 1463–1465 [Abstract] - I. Nykl, A. Fojtík, P. Hobza, P. Čársky, R. Zahradník and T. Shida
Electronic spectra of azulene mononegative and monopositive ions and semiempirical open shell PPP-like calculations
1973, Vol. 38, Issue 5, pp. 1459–1462 [Abstract] - P. Hobza, I. Nykl and K. Uhlíř
Electrochemical equipment for generation of radicals and recording electronic spectra
1973, Vol. 38, Issue 4, pp. 994–997 [Abstract] - P. Hobza, P. Čársky and R. Zahradník
Conjugated radicals. XVI. Electronic spectra of ortho-semiquinones and remark on the applicability of the LCI-CNDO method to quinones and semiquinones
1973, Vol. 38, Issue 3, pp. 641–644 [Abstract] - R. Zahradník, V. Rejholec, P. Hobza, P. Čársky and K. Hafner
Conjugated radicals. XIV. Electronic spectra and semiempirical calculations on radical anions of acenaphthylene, fluoranthene and aceheptylene
1972, Vol. 37, Issue 6, pp. 1983–1989 [Abstract] - P. Čársky, P. Hobza and R. Zahradník
Conjugated radicals. XI. para-Semiquinones
1971, Vol. 36, Issue 3, pp. 1291–1300 [Abstract]
