Osiągnięcia naukowe
Osiągnięcia naukowe obecnych pracowników Pracowni Chemii Kwantowej i profesora Włodzimierza Kołosa to między innymi:
- opublikowanych ponad 820 artykułów naukowych,
- ponad 30880 cytowań,
- oszacowany h-index dla Pracowni: 81 (Web of Science, lipiec 2015).
Najbardziej cytowane artykuły:
Najbardziej cytowane artykuły Pracowni Chemii Kwantowej (ponad 190 cytowań, Web of Science, lipiec 2015) napisane przez obecnych członków Pracowni Chemii Kwantowej i Włodzimierza Kołosa to:
- W. Kołos, L. Wolniewicz
Potential-Energy Curves for the X 1Σ+g, b3Σ+u, and C 1Πu States of the Hydrogen Molecule
J. Chem. Phys. 43, 7, 2429 (1965) (over 1355 citations) - B. Jeziorski, R. Moszynski, K. Szalewicz
Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
Chemical Reviews 94(7), 1887 (1994) (over 1530 citations) - W. Kolos, C.C.J. Roothaan
Accurate Electronic Wave Functions for the H2 Molecule
Rev. Mod. Phys. 32, 219 (1960) (over 685 citations) - G. Chalasinski, M.M. Szczesniak
Origins of Structure and Energetics of van der Waals Clusters from ab Initio Calculations
Chem. Rev., 1994, 94 (7), 1723 (over 694 citations) - B. Jeziorski, H.J. Monkhorst
Coupled-cluster method for multideterminantal reference states
Phys. Rev. A 24, 1668 (1981) (over 696 citations) - W. Kołos, L. Wolniewicz
Accurate Adiabatic Treatment of the Ground State of the Hydrogen Molecule
J. Chem. Phys. 41, 3663 (1964) (over 595 citations) - W. Kołos, L. Wolniewicz
Improved Theoretical Ground‐State Energy of the Hydrogen Molecule
J. Chem. Phys. 49, 404 (1968) (over 533 citations) - W. Kołos, L. Wolniewicz
Polarizability of the Hydrogen Molecule
J. Chem. Phys. 46, 1426 (1967) (over 486 citations) - G. Chalasinski, M.M. Szczesniak
State of the Art and Challenges of the ab Initio Theory of Intermolecular Interactions
Chem. Rev., 100(11), 4227 (2000) (over 421 citations) - G. Chalasinski, M. Gutowski
Weak interactions between small systems. Models for studying the nature of intermolecular forces and challenging problems for ab initio calculations
Chem. Rev., 88(6), pp 943 (1988) (over 283 citations) - K. Szalewicz, S.J. Col, W. Kołos, R.J. Bartlett
A theoretical study of the water dimer interaction
J. Chem. Phys. 89, 3662 (1988) (over 278 citations) - G. Chalasinski, M.M. Szczesniak
On the connection between the supermolecular Møller-Plesset treatment of the interaction energy and the perturbation theory of intermolecular forces
Mol. Phys. 63, 2, 205 (1988) (over 281 citations) - W. Kołos
Possible improvements of the interaction energy calculated using minimal basis sets
Theoret. Chim. Acta (Bed.) 51, 219 (1979) (over 257 citations) - B. Jeziorski, M. van Hemert
Variation-perturbation treatment of the hydrogen bond between water molecules
Mol. Phys. 31, 3, 713 (1976) (over 261 citations) - S. Rybak, B. Jeziorski, K. Szalewicz
Many‐body symmetry‐adapted perturbation theory of intermolecular interactions. H2O and HF dimers
J. Chem. Phys. 95, 6576 (1991) (over 280 citations) - L. Piela, J. Kostrowicki, H.A. Scheraga
On the multiple-minima problem in the conformational analysis of molecules: deformation of the potential energy hypersurface by the diffusion equation method
J. Phys. Chem., 93 (8), 3339, (1989) (over 254 citations) - W. Kołos, K. Szalewicz, H.J. Monkhorst
New Born–Oppenheimer potential energy curve and vibrational energies for the electronic ground state of the hydrogen molecule
J. Chem. Phys. 84, 3278 (1986) (over 260 citations) - W. Kołos, L. Wolniewicz
Nonadiabatic Theory for Diatomic Molecules and Its Application to the Hydrogen Molecule
Rev. Mod. Phys. 35, 473 (1963) (over 256 citations) - T. Korona, H.L. Williams, R. Bukowski, B. Jeziorski, K. Szalewicz
Helium dimer potential from symmetry-adapted perturbation theory calculations using large Gaussian geminal and orbital basis sets
J. Chem. Phys. 106, 5109 (1997) (over 255 citations) - W. Kołos, L. Wolniewicz
Potential‐Energy Curve for the B1Σ+u State of the Hydrogen Molecule
J. Chem. Phys. 45, 509 (1966) (over 232 citations) - W. Kołos, L. Wolniewicz
Variational Calculation Of The Long-Range Interaction Between Two Ground-State Hydrogen-Atoms
Chem. Phys. Lett. 24, 4, 457 (1974) (over 234 citations) - A.J. Misquitta, R. Podeszwa, B. Jeziorski, K. Szalewicz
Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations
J. Chem. Phys. 123, 214103 (2005) (over 306 citations) - R. Bukowski, J. Sadlej, B. Jeziorski, P. Jankowski, K. Szalewicz, S.A. Kucharski, H.L. Williams, and B.M. Rice
Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory
J. Chem. Phys. 110, 3785 (1999) (over 244 citations) - A.J. Misquitta, B. Jeziorski, K. Szalewicz
Dispersion energy from density-functional theory description of monomers
Phys. Rev. Lett. 91, 033201 (2003) (over 275 citations) - W. Kołos, L. Wolniewicz
Vibrational and Rotational Energies for the B1Σu+, C1Πu, and a3Σg+ States of the Hydrogen Molecule
J. Chem. Phys. 48, 3672 (1968) (over 210 citations) - K. Szalewicz, B. Jeziorski
Symmetry-adapted double-perturbation analysis of intramolecular correlation effects in weak intermolecular interactions: The He-He interaction
Mol. Phys. 38, 191 (1979) (over 208 citations) - B. Jeziorski, J. Paldus
Spin‐adapted multireference coupled‐cluster approach: Linear approximation for two closed‐shell‐type reference configurations
J. Chem. Phys. 88, 5673 (1988) (over 215 citations) - B. Jeziorski, J. Paldus
Valence universal exponential ansatz and the cluster structure of multireference configuration interaction wave function
J. Chem. Phys. 90, 2714 (1989) (over 196 citations) - W. Kolos, C.C.J. Roothaan
Correlated Orbitals for the Ground State of the Hydrogen Molecule
Rev. Mod. Phys. 32, 205–210 (1960) (over 196 citations)