- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Jiří Pancíř
- Jiří Pancíř and Ivana Haslingerová
A topological quantum-chemical study of the chemisorption of carbon monoxide on the fcc (112) surfaces of Ni, Pt, Pd, Rh, and Ir
1990, Vol. 55, Issue 8, pp. 1907–1919 [Abstract] - Jiří Pancíř, Ivana Haslingerová and Klára Kašová
Topological study of the chemisorption of N2 on (112) stepped surfaces of Pt and Ir
1990, Vol. 55, Issue 8, pp. 1896–1906 [Abstract] - Jiří Pancíř and Ivana Haslingerová
Adsorption of carbon monoxide on the iridium fcc (112) surface: Topological study
1989, Vol. 54, Issue 3, pp. 566–571 [Abstract] - Jiří Pancíř, Ivana Haslingerová and Petr Nachtigall
Quantum chemical topological study of interaction of carbon monoxide on the Pd (112) surface
1988, Vol. 53, Issue 9, pp. 2064–2072 [Abstract] - Jiří Pancíř and Ivana Haslingerová
Theoretical study of acetylene in the external electrical field
1980, Vol. 45, Issue 9, pp. 2474–2480 [Abstract] - Jiří Pancíř
Topological analysis of energy hypersurface
1980, Vol. 45, Issue 9, pp. 2463–2473 [Abstract] - Jiří Pancíř
Topological methods of quantum chemistry for a study of chemical reactivity
1980, Vol. 45, Issue 9, pp. 2452–2462 [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] - 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] - Jiří Pancíř and Jan Kopecký
Theoretical study of monooxygenase catalyzed oxidations and their models
1978, Vol. 43, Issue 1, pp. 47–56 [Abstract]
The following name might also represent this author:
J. Pancíř
- Hanspeter Huber, J. Pancíř and P. Čársky
Effective search for minima on the ab initio SCF energy hypersurfaces
1977, Vol. 42, Issue 9, pp. 2767–2771 [Abstract] - J. Pancíř and R. Zahradník
Theoretical study of physical properties of activated complexes and metastable intermediates
1977, Vol. 42, Issue 7, pp. 2054–2059 [Abstract] - J. Pancíř
Formaldehyde-hydroxycarbene rearrangement
1977, Vol. 42, Issue 1, pp. 16–27 [Abstract] - J. Pancíř
Equilibrium geometry and vibrational characteristics computations by semiempirical methods
1975, Vol. 40, Issue 9, pp. 2726–2732 [Abstract] - J. Pancíř
Calculation of the least energy path on the energy hypersurface
1975, Vol. 40, Issue 4, pp. 1112–1118 [Abstract] - J. Pancíř and J. Kopecký
Properties of pyridine N-oxide in excited states. A model study of microsomal hydroxylations
1974, Vol. 39, Issue 12, pp. 3608–3612 [Abstract] - J. Pancíř, I. Matoušek and R. Zahradník
A critical reexamination of semiempirical parameters used in π-electronic methods of the PPP-type
1973, Vol. 38, Issue 10, pp. 3039–3066 [Abstract] - V. Rejholec, J. Pancíř, P. Čársky and R. Zahradník
Electronic spectra and semiempirical calculations on dinegative ions of acenaphthylene, fluoranthene and aceheptylene
1972, Vol. 37, Issue 6, pp. 1978–1982 [Abstract] - R. Zahradník, I. Tesařová and J. Pancíř
Experimental and theoretical (HMO and LCI-SCF) study of singlet-triplet transitions in conjugated hydrocarbons and their derivatives
1971, Vol. 36, Issue 8, pp. 2867–2880 [Abstract] - R. Zahradník, J. Pancíř and A. Kröhn
Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. XIX. A note on the electronic spectra of the fluorenylium cation and its benzo derivatives
1969, Vol. 34, Issue 9, pp. 2831–2832 [Abstract] - R. Zahradník, A. Kröhn, J. Pancíř and J. Šnobl
Physical properties and chemical reactivity of alternant hydrocarbons and related compounds. XVIII. Electronic spectra of arylmethyl cations
1969, Vol. 34, Issue 9, pp. 2553–2567 [Abstract] - R. Zahradník, J. Michl and J. Pancíř
Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. III. Ions of the polyenylcyclopentadienyl type
1965, Vol. 30, Issue 9, pp. 2891–2899 [Abstract]
