Search results
- 1.0181854 - UFCH-W 20030301 RIV GB eng J - Journal Article
Fišer, J. - Boublík, T. - Polák, Rudolf
Combining Rule for Interaction Energies of the (CO)2, (N2)2 and CO-N2 Complexes.
Molecular Physics. Roč. 101, 23/24 (2003), s. 3409-3418. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA ČR GA203/00/0600
Institutional research plan: CEZ:AV0Z4040901
Keywords : interaction energies * CO-N2 complexes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.591, year: 2003
Permanent Link: http://hdl.handle.net/11104/0078368 - 2.0181617 - UFCH-W 20030046 RIV NL eng J - Journal Article
Polák, Rudolf - Fišer, J.
A CASSCF/icMRCI Study of the Nuclear Electric Field Gradient in Low-Lying Electronic States of N2+/N2.
Chemical Physics. Roč. 290, č. 2 (2003), s. 177-188. ISSN 0301-0104. E-ISSN 1873-4421
R&D Projects: GA ČR GA203/01/1274; GA ČR GA203/00/0600
Institutional research plan: CEZ:AV0Z4040901
Keywords : electric field grandient * chemical bonding * spectroscopic constant
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.070, year: 2003
Permanent Link: http://hdl.handle.net/11104/0078156 - 3.0181452 - UFCH-W 20020120 RIV NL eng J - Journal Article
Fišer, J. - Polák, Rudolf
An ab initio Study of the CO-N2 Complex.
Chemical Physics Letters. Roč. 360, 5/6 (2002), s. 565-572. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA ČR GA203/00/0600
Institutional research plan: CEZ:AV0Z4040901
Keywords : interaction energy * van der Waals complex * stable structure
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.526, year: 2002
Permanent Link: http://hdl.handle.net/11104/0001892 - 4.0181365 - UFCH-W 20020023 RIV NL eng J - Journal Article
Polák, Rudolf - Fišer, J.
Multireference CI Calculation of Nuclear Quadrupole Coupling Constants of CN+ and CN-: Rovibrational Dependence.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 58, č. 9 (2002), s. 2029-2041. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA ČR GA203/01/1274; GA ČR GA203/00/0600
Institutional research plan: CEZ:AV0Z4040901
Keywords : N quadrupole coupling constants * rovibrational dependence * electric dipole moment
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.046, year: 2002
Permanent Link: http://hdl.handle.net/11104/0077947 - 5.0166769 - UCHP-M 20030086 RIV GB eng J - Journal Article
Morávková, Lenka - Linek, Jan
Excess Molar Volumes of (Octane + 1-Chloropentane) at Temperatures between 298.15 K and 328.15 K and at Pressures up to 40 MPa.
Journal of Chemical Thermodynamics. Roč. 35, č. 7 (2003), s. 1119-1127. ISSN 0021-9614. E-ISSN 1096-3626
R&D Projects: GA ČR GA203/00/0600; GA ČR GA203/02/1098
Institutional research plan: CEZ:AV0Z4072921
Keywords : octane * 1-chloropentane * binary mixture
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.986, year: 2003
Permanent Link: http://hdl.handle.net/11104/0063878 - 6.0166694 - UCHP-M 20030011 RIV GB eng J - Journal Article
Morávková, Lenka - Linek, Jan
Excess Molar Volumes of (Octane + 1-Chlorobutane) at Temperatures between 298.15 K and 328.15 K and at Pressures up to 40 MPa.
Journal of Chemical Thermodynamics. Roč. 35, č. 1 (2003), s. 113-121. ISSN 0021-9614. E-ISSN 1096-3626
R&D Projects: GA ČR GA203/00/0600
Institutional research plan: CEZ:AV0Z4072921
Keywords : densities * excess molar volumes * mixtures
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.986, year: 2003
Permanent Link: http://hdl.handle.net/11104/0063807 - 7.0166687 - UCHP-M 20030004 RIV GB eng J - Journal Article
Lísal, Martin - Hall, C. K. - Gubbins, K. E. - Panagiotopoulos, A. Z.
Formation of Spherical Micelles in a Supercritical Solvent: Lattice Monte Carlo Simulation and Multicomponent Solution Model.
Molecular Simulation. Roč. 29, č. 2 (2003), s. 139-157. ISSN 0892-7022. E-ISSN 1029-0435
R&D Projects: GA ČR GA203/00/0600; GA ČR GA203/02/0805
Grant - others:STC(US) CHE/9876674
Institutional research plan: CEZ:AV0Z4072921
Keywords : simulation * micelle * supercritical
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.721, year: 2003
Permanent Link: http://hdl.handle.net/11104/0063801 - 8.0166640 - UCHP-M 20020336 RIV SK eng J - Journal Article
Morávková, Lenka - Linek, Jan
Excess Molar Volumes of the Octane-1-Chlorobutane System at High Pressures and Elevated Temperatures.
Chemical Papers. Roč. 56, č. 6 (2002), s. 374-377. ISSN 0366-6352.
[International Conference of Slovak Society of Chemical Engineering /29./. Tatranské Matliare, 27.05.2002-31.05.2002]
R&D Projects: GA ČR GA203/00/0600
Keywords : densities * excess volumes * mixtures
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.336, year: 2002
Permanent Link: http://hdl.handle.net/11104/0001383 - 9.0166563 - UCHP-M 20020254 RIV GB eng J - Journal Article
Morávková, Lenka - Linek, Jan
Temperature Dependence of Excess Molar Volumes of (Octane + 1-Chloroalkane).
Journal of Chemical Thermodynamics. Roč. 34, č. 9 (2002), s. 1407-1415. ISSN 0021-9614. E-ISSN 1096-3626
R&D Projects: GA ČR GA203/00/0600
Keywords : octane * chloroalkane * thermodynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.000, year: 2002
Permanent Link: http://hdl.handle.net/11104/0063682 - 10.0166562 - UCHP-M 20020253 RIV GB eng J - Journal Article
Morávková, Lenka - Linek, Jan
Excess Molar Volumes of (Heptane + 1-Chlorobutane) at Elevated Temperatures and High Pressures.
Journal of Chemical Thermodynamics. Roč. 34, č. 9 (2002), s. 1397-1405. ISSN 0021-9614. E-ISSN 1096-3626
R&D Projects: GA ČR GA203/00/0600
Keywords : heptane * 1-chlorobutane * thermodynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.000, year: 2002
Permanent Link: http://hdl.handle.net/11104/0063681