Search results
- 1.0181747 - UFCH-W 20030186 RIV US eng J - Journal Article
Mrugala, F. - Špirko, Vladimír - Kraemer, W. P.
Radiative Association of HeH2+.
Journal of Chemical Physics. Roč. 118, č. 23 (2003), s. 10547-10560. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA AV ČR IAA4040806
Institutional research plan: CEZ:AV0Z4040901
Keywords : infrared absorption spectrum * potential-energy surface * AR-HD complex
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.950, year: 2003
Permanent Link: http://hdl.handle.net/11104/0078269 - 2.0181746 - UFCH-W 20030185 RIV DE eng J - Journal Article
Šindelka, Milan - Špirko, Vladimír - Kraemer, W. P.
Vibrational Linestrengths for the Ground and First Excited Electronic States of HeH2+.
Theoretical Chemistry Accounts. Roč. 110, č. 3 (2003), s. 170-175. ISSN 1432-881X. E-ISSN 1432-2234
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : vibrational line strangth * HeH2+ * electric dipole moment surface
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.542, year: 2003
Permanent Link: http://hdl.handle.net/11104/0078268 - 3.0181745 - UFCH-W 20030184 RIV NL eng J - Journal Article
Špirko, Vladimír - Šindelka, Milan - Shirsat, R. N. - Leszczynski, J.
Bound and Continuum Vibrational States of the Bifluoride Anion.
Chemical Physics Letters. Roč. 376, - (2003), s. 595-605. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA MŠMT LN00A032; GA AV ČR IAA4040806
Institutional research plan: CEZ:AV0Z4040901
Keywords : level correlated calculations * potential-energy surfaces * FHF
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.438, year: 2003
Permanent Link: http://hdl.handle.net/11104/0001934 - 4.0181596 - UFCH-W 20030023 RIV GB eng J - Journal Article
Hobza, Pavel - Špirko, Vladimír
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?
Physical Chemistry Chemical Physics. Roč. 5, č. 6 (2003), s. 1290-1294. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : N1-H stretch vibration * guanine shifted
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.959, year: 2003
Permanent Link: http://hdl.handle.net/11104/0078139 - 5.0181578 - UFCH-W 20020264 RIV US eng J - Journal Article
Čejchan, Antonín - Špirko, Vladimír
Transforming from Internal Coordinates to Cartesian Displacements in the Eckart Frame. A Taylor Series Expansion Approach.
Journal of Molecular Spectroscopy. Roč. 217, č. 1 (2003), s. 142-145. ISSN 0022-2852. E-ISSN 1096-083X
R&D Projects: GA AV ČR IAA1010902
Keywords : Taylor series expansion approach * coordinates
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.395, year: 2003
Permanent Link: http://hdl.handle.net/11104/0078126 - 6.0181553 - UFCH-W 20020185 RIV US eng J - Journal Article
Šindelka, Milan - Špirko, Vladimír - Urban, J. - Mach, P. - Leszczynski, J.
Potential Energy Surface and Ro-vibrational Energies of Ne3+ in the Ground Electronic State.
International Journal of Quantum Chemistry. Roč. 90, č. 3 (2002), s. 1232-1239. ISSN 0020-7608. E-ISSN 1097-461X
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : multireference many-body perturbation theory * rovibrational energy * rare-gas ionic clusters
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.514, year: 2002
Permanent Link: http://hdl.handle.net/11104/0078105 - 7.0181552 - UFCH-W 20020184 RIV NL eng J - Journal Article
Špirko, Vladimír - Čejchan, Antonín - Lutchyn, R. - Leszczynski, J.
Dimensionality of the Proton Transfer in the Intramolecular Hydrogen Bond of Formimidol.
Chemical Physics Letters. Roč. 355, - (2002), s. 319-326. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA AV ČR IAA1010902
Grant - others:NSF-CREST(US) 9805465
Institutional research plan: CEZ:AV0Z4040901
Keywords : hydrogen bond * formimidol * proton transfer
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.526, year: 2002
Permanent Link: http://hdl.handle.net/11104/0001905 - 8.0181455 - UFCH-W 20020123 RIV NL eng J - Journal Article
Burcl, R. - Piecuch, P. - Špirko, Vladimír - Bludský, Ota
Bound and quasi-bound states of the Li center dot center dot center dot FH van der Waals molecule: The effects of the potential energy surface and of the basis set superposition error.
Journal of Molecular Structure. Theochem. Roč. 591, - (2002), s. 151-174. ISSN 0166-1280
R&D Projects: GA AV ČR IAA4040806
Institutional research plan: CEZ:AV0Z4040901
Keywords : potential energy surfaces * van der Waals complexes * Ro-vibrational states
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.014, year: 2002
Permanent Link: http://hdl.handle.net/11104/0078020 - 9.0181454 - UFCH-W 20020122 RIV NL eng J - Journal Article
Kraemer, W. P. - Špirko, Vladimír - Bludský, Ota
Bound and Low-Lying Quasi-Bound Rotation-Vibration Energy Levels of the Ground and First Excited Electronic States of HeH2+.
Chemical Physics. Roč. 276, - (2002), s. 225-242. ISSN 0301-0104. E-ISSN 1873-4421
R&D Projects: GA MŠMT LN00A032
Institutional research plan: CEZ:AV0Z4040901
Keywords : energy surfaces * rotation-vibration * energy levels
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.203, year: 2002
Permanent Link: http://hdl.handle.net/11104/0078019 - 10.0181380 - UFCH-W 20020040 RIV US eng J - Journal Article
Šindelka, Milan - Špirko, Vladimír - Jungwirth, Pavel
Electrons Weakly Bound to Hydrogen Bonded Clusters: A Pseudopotential Model Including Dispersion Interactions.
Journal of Chemical Physics. Roč. 117, č. 11 (2002), s. 5113-5123. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA MŠMT LN00A032
Grant - others:VW(DE) I/75908
Institutional research plan: CEZ:AV0Z4040901
Keywords : dipole bound anions * excess electron * pseudopotential
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.998, year: 2002
Permanent Link: http://hdl.handle.net/11104/0077961