Pracownia Odziaływań Międzymolekularnych

::prof. dr hab. Joanna Sadlej::
   Office adress:
   Department of Chemistry
   Warsaw University
   PL-02-093 Warszawa, Pasteura 1 , e-mail: sadlej. at. chem.uw.edu.pl
   phone:+48 22-8-220-211 ext.280 , room number: F-415

Born:	May 12, 1944 , Warsaw
Education:	1966	M. Sc. at Department of Chemistry, Warsaw University,specialization in physical chemistry
	1964 - 1968	4 years study at Department of Mathematics
	1970	Ph. D. at Department of Chemistry, Warsaw University. "Semiempirical Calculations of the Spectroscopic Parameters Changes due to Solute- Solvent and Ion-Solvent Interactions"
	1996	D. Sc. at Department of Chemistry, Warsaw University, (habilitation) "Quantum-Chemical Calculations of the Spectroscopic Effects Due to Intermolecular Interactions" title of full professor
Professional:
	1966 - 1970	research assistant at Department of Chemistry, Warsaw University
	1970 - 1989	assistant professor
	1989 - 1994	docent
	1994 - 1996	extraordinary professor
	1996	full professor
	1999	Head of Laboratory of Intermolecular Interactions at Department of Chemistry
International Experience:
	1990	3 months , Lund University, Sweden
	1991 - 1992	research scientist, Department of Chemistry, University of Idaho, Moscow, USA
	1992 - 1993	visiting research professor, Department of Chemistry, University of Illinois at Chicago, Chicago, USA.
	1994 - 2002	each year 2-3 months at Fritz Haber Research Center for Molecular Dynamics, Department of Chemistry, Jerusalem, Israel
	1996 , 1997	each year three months at Department of Physics and Astronomy, University of Delaware, Newark, USA
	2003	2 weeks at Pacific Nothwest National Laboratory, Richland, USA.
Teaching Experience:
	1966 - 1975	teaching assistant, demonstrated physical chemistry laboratories, tutorials for thermodynamics, Department of Chemistry, Warsaw University
	1980 - 1985	monograph lectures in molecular spectroscopy and molecular strycture, Department of Chemistry, Warsaw University
	1985 - 1987	general chemistry for physicists, lecturer, Department of Physics, Warsaw University
	1995 - 2000	molecular spectroscopy - lecturer, Department of Chemistry, Warsaw University
	1993 - 2001	general chemistry - lecturer, College for Science, SNS, Warsaw
	2000 - 2005	applied quantum chemistry - lecturer, Department of Chemistry, Warsaw University
Awards:
	1970	Distinguished Young Scientist National Award
	1977, 1984	Ministry of Education Award, Piekara Award for the best lecture, Department of Chemistry - Świętosławski Award for the outstanding scientific achivements at Department of Chemistry
Publications:
		more than 100 publication (below, section A, B, C) 5 books and review articels (below, section D)
Grants:
	1993- 1994	Cornell Theory Center, Ithaca, USA, 2-years computer grant
	1995- 1997	grant KBN for two years
	1998- 2000	grant KBN for two years
	1999- 2001	grant KBN for two years
	1999- 2001	British-Polish Reserach Collaboration Programme, with prof. P. W. Fowler (G. Britain) and prof. Z. Kisiel (IF PAN, Warsaw)
	1998-2001	Israel Naturewissensachten Scientific Cooperation Fund, with prof. V. Buch (Israel) and U. Buck (Germany).
	2000-2003	grant KBN for two years
	2001-2003	grant KBN for two years
	2004-2009	Nanoquant, Understanding Nano-Materials from the Quantum Perspective, Human Resources and Mobility (HRM) Activity, Marie Curie Actions, Network Coordinator: prof. Hans Agren.

Membership

since 1994 American Association for the Advancement of Science (AAAS)

Areas of Scientific Activity:

Theoretical calculations for molecules and their interactions. Modelling of intermolecular interactions of the molecular complexes with rare gas atoms; the study of the conformational isomers of the complexes due to the large number of minima in the intermolecular potential energy surfaces. Special attention is paid to many-body nonadditive forces and the spectroscopic parameters of the interacting systems.

Theoretical study of the water clusters, their structure and spectra. Intermolecular effects in NMR chemical shifts and NMR spin-spin coupling constants studied by quantum-chemical calculations. NMR spin-spin coupling constants transmitted through hydrogen bonds.

Selected last publications:

1.U. Buck, I. Ettischer, M. Melzer, V. Buch, J. Sadlej, Structure and spectra of three-dimensional (H₂O)_n clusters, n=8,9,10, Phys. Rev. Letters, 80, 2578 (1998).

2. P. Sandler, V. Buch, J. Sadlej, Simulations of H₂O solid, liquid and clusters, with an emphasis on ferroelectric ordering transition in hexagonal ice J. Phys. Chem. B, feature articel, 102, 8641(1998).

3. J. Brudermann, M. Melzer, U. Buck, J. K. Kazimirski, J. Sadlej, The asymmetric cage structure of (H₂O)₇ from a combined spectroscopic and computational study, J. Chem. Phys., 110, 10649 (1999).

4. M. Pecul, J. Sadlej The influence of electrostatic and dispersion interaction on NMR parametrs of acetylene, Chem. Phys., 248, 27 (1999).

5. J. Sadlej, V. Buch, J. K. Kazimirski, U. Buck, Theoretical study of structure and spectra of cage water clusters, (H₂O)_n n=7-10, J. Phys. Chem. A, 103, 4933 (1999).

6. Z. Kisiel, E. Bialkowska-Jaworska, L. Pszczólkowski, A. Millet, C. Struniewicz, R. Moszynski, J. Sadlej, The observation and properties of weakly bound trimer J. Chem. Phys., 112, 5767 (2000)

7. M. Pecul, J. Leszczynski, J. Sadlej, Comprehensive ab initio studies of NMR shielding and coupling constants in XH..O hydrogen bonded complexes of simple organic molecules, J. Chem. Phys., 112, 7930 (2000).

8. M. Pecul, J. Leszczynski, J. Sadlej, The shielding constants and scalar coupling in NH^...OC and NH^...NC hydrogen bonded systems: J. Chem. Phys., 113, 10835 (2000).

9. Sadlej J., Theoretical study of structure and spectra of cage clusters (H₂O)_n, n=11,12. Chemical . Physics. Letters, 333, 485 (2001).

10. Devlin J.P., Sadlej J., Buch V., Infrared spectra of large H₂O clusters: new understanding of the elusive bending mode of ice., Journal Physical Chemistry, B. 105, 974 (2001).

11. Rode M. F., Sadlej J., The (H₂O)₂CO ternary complex: cyclic or linear? Chemical Physics Letters, 342, 220 (2001).

12. Pecul M., Sadlej J., Leszczynski J., The FH coupling constants transmitted through covalent, hydrogen bond, and van der Waals interactions, Journal of Chemical Physics, 115, 5498 (2001).

13. Milet A., Struniewicz C., Moszynski R., Sadlej J., Kisiel Z., Bialkowska-Jaworska E., Pszczólkowski L., Structure and properties of weakly bound trimer (H₂O)₂HCl. Theoretical predictions and comparison with high-resolution rotational spectroscopy, Chemical Physics, 271 , 267 (2001).

14. Devlin J. P., Uras N., Sadlej J., Buch V., Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particels, Nature, 417, (2002), 269-271.

15. Buch V., Sadlej J., Uras N., Devlin J. P., Solvation and Ionization Stages of HCl on Ice Nanoparticels, Journal of Physical Chemistry A, feature article, 106 (2002) , 9374-9389.

16. Pecul M. ,Sadlej J., Helgaker T. , Calculations of hydrogen-bond- transmitted indirect nuclear spin-spin coupling: a comparison of density-functional and ab initio methods, Chemical Physics Letters, 372, (2003) 476-484.

17. Cybulski H., Pecul M., Sadlej J. , Characterization of dihydrogen-bonded D-H^...H-A complexes on the basis of infrared and magnetic resonance spectroscopic parametrs Journal of Chemical Physics, 119, (2003) 5094-5104.

18. Pecul M., Sadlej J., Ab initio calculations of the intermolecular nuclear spin-spin coupling constants, Computational Chemistry, Review of Current Trends, vol. 8, 131-160, ed. J. Leszczynski, World Scientific, N. Y. 2003

prof. dr hab. Joanna Sadlej Warsaw, 20.01.2005
Department of Chemistry Warsaw University
Laboratory of Intermolecular Interactions
List of publications

A. The publication published before the D.Sc (habilitation) degree

1. Z. Kecki, J.Golaszewska (Sadlej), Mutal Interactions in Solutions of Polar Substances as Observed in the Raman Effect. Part XI. Normal Coordinate Analysis of Cation-Acetonitrile Complex. Roczniki Chem., 41, 1817 (1967).

2. J. Sadlej. Z. Kecki, Modification of the SCF LCAO MO CNDO Method, Roczniki Chem., 42, 1153 (1968).

3. J. Sadlej, Modified CNDO Methos. I. Calculation of the Stretching Force Constants for Diatomic Molecules, Acta Phys. Polon., 35, 829 (1969).

4. J. Sadlej, Z. Kecki, Modified CNDO Method. II. Electronic Structure of Acetonitrile and its Complexes with Metal Cations. Roczniki Chem., 43, 2131 (1969).

5. A.J. Sadlej, J. Sadlej, Approximate SCF LCAO MO Theory for All Valence Electrons. I. A Realization of the INDO Scheme in the LOAO Basis. Acta Phys. Polon., A37, 195 (1970).

6. J. Sadlej, Z. Kecki, Modified CNDO Method. II. NMR Chemical Shifts in the Acetonitrile Solutions of Electrolytes. Roczniki Chem., 45, 445 (1971).

7. J. Sadlej, Z. Kecki, Modified CNDO Method. IV. Ion-Molecule Interactions in the Acetone Solutions of Electrolytes. J. Phys. Chem., 75, 358, (1971).

8. J. Sadlej, Semiempirical Calculations of Electronic Redistributions in the Interacting Molecular Systems. I. C=O^...H-N Hydrogen Bond in Acetone-Methylamine. Roczniki Chem., 46, 1855 (1972).

9. J. Sadlej, A.J. Sadlej, Calculation of the Oxygen Chemical Shifts Due to Sovent-Solute-Interactions in Electrolyte Solutions. J. Magn. Resonance, 14, 97 (1974).

10. J. Borucka, J. Sadlej, Z. Kecki, The Applicability of the CNDO Treatment to the Interpretation of the IR Spectra of Electrolyte Solutions in Acetone. Adv. Mol. Relaxation Precesses, 5, 253 (1973).

11. J. Sadlej, Semiempirical Calculations of Electronic Redistributions in Interacting Molecular Systems. II. Localized-Orbital Model for Donors of Electrons. Roczniki Chem., 49, 1743 (1975).

12. J. Sadlej, Semiempirical Calculations of Electronic Redistributions in Interacting Molecular Systems. III. Localized Charge Distributions in the Hydration Complexes of Cations and Anions. Adv. Mol. Relaxation Processes, 8, 117 (1976).

13. L.Adamowicz, J.Sadlej, Semiempirical Calculations of Electronic Redistributions in Interacting Molecular Systems. IV. Molecular Electrostatic Potentials for Oxygen Donors of Electrons. Adv. Mol. Relaxation Processes. 10, 283 1(1977).

14. J. Sadlej, Semiempirical Calculations of Electronic Redistributions in Interacting Molecular Systems. V. Molecular Electrostatic Potentials for Carbonyl Donors of Electrons. Roczniki Chem., 51, 1033 (1977).

15. J. Sadlej, A.J. Sadlej, Theoretical Infrared and Raman Spectroscopic Parameters for H₂O and the H₂O^...Li⁺ System. Disc. Faraday Soc., 64, 112 (1977). 16. J.Sadlej, Z.Kecki, Interpretations of the Changes of Spectral Parameters by Quantum Chemical Methods, in Applications of Computers in processing of Physicochemical and Analitical Data, Rozprawy Politechniki Rzeszowskiej, Konferencje 3, 23 (1978).

17. J. Sadlej, A.J. Sadlej, Spectroscopic Parameters of Interacting Systems. I. A initio Study of Vibrational Intensity Changes Due to Ion-Molecule Interactions. H₂O^...Li⁺. Acta Phys. Polon., A53, 747 (1978).

18. J. Sadlej, A.J. Sadlej, Spectroscopic Parameters of Interacting Systems. II. Ab initio Study of Vibrational Intensity Changes Due to Ion-Molecule Interactions. HCN^...Li⁺. Acta Phys. Polon., A55, 239 (1977).

19 . J. Sadlej, A initio calculations of Magnetic Shielding Changes Due to Ion-Molecule Interactions of Li⁺ with H₂O and HCN. Roczniki Chem., 52, 2001 (1978).

20. J. Sadlej, Theoretical Studies of Ion Solvation Processes . Wiadom. Chem., 32, 4559 (1978).

21. J. Sadlej, Interpretations of the Infrared and Raman Spectrum of Acetonitrile Solutions of Electrolytes in the CN Stretching Region. Spectrochim. Acta, 35A, 681 (1979).

22. J. Sadlej, Spectroscopic Parameters of Interacting Systems. IV. Ab initio Study of Vibrational Intensity Changes Due to Ion-Molecule Interactions. H_OH^...F^-. Adv. Mol. Relax. Processes, 15, 163 (1979).

23. J. Sadlej, Spectroscopic Parameters of Interacting Systems. V. Ab initio Study of Vibrational Intensity Changes Due to Ion-Molecule Interactions. HCH^...HF. Adv. Mol. Relax. Processes, 15, 173 (1979).

24. J. Sadlej, Spectroscopic Parameters of Interacting Systems. VI. Ab initio Study of Vibrational Intensity Changes Due to Ion-Molecule Interactions. H₂CO^...Li⁺. Polish J. Chem., 54, 991 (1980).

25. J. Sadlej, An Attempt to Evaluate the Vibrational Intensity changes Due to Long-Range Interactions. Adv. Mol. Relax. Processes, 16, 14 (1980).

B. The publication published after the D.Sc.degree

1.1. Z. Kecki, J. Sadlej, A.J. Sadlej, Spectroscopic Parameters of Interacting Systems. III. Ab initio Study of Vibrational Intensity Changes Due to Hydrogen Bonding and Ion-Molecule Interactions in (H₂O)₂ and (H₂O₂)^...Li⁺. J. Mol. Struct., Theochem., 88, 71 (1982).

1.2. K. Mięskiewicz, J. Sadlej, CNDO Calculations of the Trans Lone-Pair Effect on the Aldyhedic CH Force Constant as Influenced by Ions. J. Mol. Struct., Theochem., 92, 279 (1983).

1.3. K. Mięskiewicz, J. Sadlej, The Investigation of Ion-Formamide Interaction by Ab initio Model Calculations. J. Mol. Struct., Theochem., 124, 223 (1985). 1.4. J. Sadlej, L. Łapiński, Ammonia Dimer, Linear or Cyclic ? J. Mol. Struct., Theochem., 139, 233 (1986).

1.5. J. Sadlej, L. Łapiński, Ab initio Calculations of the Vibrational Force Constants and IR Intensities of the Ammonia Dimers. J. Mol. Struct., Theochem, 150, 223 (1987).

1.6. J. Sadlej, Ab initio Calculations of the IR Spectra of Hydrogen Bonded and Lithium Bonded Complexes of Ammonia. J. Mol. Struct., Theochem., 180, 65 (1988).

1.7. J. Sadlej, M. Siciński, Investigations of the Anesthetic Activity of the Nitrious Oxide by Quantum Chemical Methods. J. Mol. Struct., Theochem., 204, 1 (1990).

1.8. J. Sadlej, B.O. Roos, A Quantum Chemical Study of the Hydrogen Bonding in the CO₂^...HF and N₂O^...HF Complexes. Theoret. Chim. Acta, 76, 173 (1989).

1.9. J. Sadlej, A Quantum Chemical Study of the Complexes: He^...NNO and He^...COO. J. Mol. Struct., Theochem., 209, 231 (1990).

1.10. J. Sadlej, B.O. Roos, A CASSCF-MRCI Study of the Ground and Lower Excited States of the CCCN radical. Chem. Phys. Letters, 180, 81 (1991). 1.11. J. Sadlej, K. Mięskiewicz, Ab initio Calculations of the Vibrational Spectra of the Complexes: NH₃^...HF and NH₂HF^...HF. J. Mol. Struct., Theochem, 236, 427 (1991).

1.12. R. Larsson, B. Folkensson, J. Sadlej, On the Relation between Core Binding Energies and Atomic Charges. Spectrosc. Letters, 24, 671 (1991).

1.13. J. Sadlej, A Quantum Chemical Study of the Hydrogen Bonding in a Weekly Bond SCO^...HF Complex. J. Mol. Struct., Theochem., 253, 187 (1992).

1.14. J. Sadlej, W.D. Edwards, Correlated IR Spectra for Imidazole and its Different Forms. Int. J. Quantum Chem., 526, 409 (1992). 1.15. J. Sadlej, A. Jaworski, K. Mięskiewicz, Ab initio calculations of the IR and Raman Spectra for Imidazole. J. Mol. Struct., 274 ,247 (1992).

1.16. J. Sadlej, W.D. Edwards, Study of the Weak Interaction in SCO^...He and SCO^...N₂ Systems. Int. J. Quantum Chem., 46, 623 (1993).

1.17. J. Sadlej, G. Chałasiński, M.M. Szczę?niak, On the nature of the Interaction Energy in the Ar-ClF Complex. J. Chem. Phys . 99, 3700 (1993).

1.18. J. Sadlej, M. M. Szczęśniak, G. Chałasiński, Ab initio study of the H₂CO^...Ar complex. J. Chem. Phys., 99, 5211 (1993).

1.19. J. Sadlej, W. D. Edwards, Ab initio study of the ground and excited states of Li^...Ne. Int. J. Quantum Chem., S27, 731 (1993).

1.20. J. Sadlej, V. Buch, Ab initio study of intermolecular potential of water-carbon monoxide complex. J. Chem. Phys., 100, 4272 (1994).

1.21. J. Sadlej, B. Rowland, J. P. Devlin, V. Buch, Vibrational spectra of water complexes with H₂, N₂ and CO. Ab initio study. J. Chem. Phys., 102, 4804 (1995).

1.22. J. Sadlej, G. Cha?asi?ski , M. M. Szczęśniak, On the nature of the interaction energy in the Ar^...Cl₂ complex. J. Mol. Structure (Theochem.), 307, 187 (1994).

1.23. J. Sadlej, W. D. Edwards, Ab initio study of the ground and excited state of Li^...Ar. Int . J. Quantum Chem., 53, 607 (1995).

1.24. G. Chałasiński, M. Gutowski, M. M. Szczęśniak, J. Sadlej, S. Scheiner, Ab initio study of He ^... Cl₂ potential energy surface. J. Chem. Phys., 101, 6800 (1994).

1.25. J. Sadlej, P. Mazurek, Ab initio study of the H₂O^...CO₂ complex. J. Mol. Struct. (Theochem.) , 337, 129 (1995).

1.26. R. Larsson, J. Sadlej, Ab initio calculations for the C1s chemical shifts of some alkanes, Spect. Letters, 28, 275 (1995).

C. The publications published after the title of professor

1.1. J. Sadlej, S. M. Cybulski, M. M. Szczesniak, Ab initio of nonadditive effects in the (H₂O)₂^...H₂ cluster. J. Phys. Chem., 100, 10875 (1996).

1.2. P. J. Marshall, M. M. Szczesniak, J. Sadlej, G. Chałasiński, M. A. ter Horst, C. J. Jamson, Ab initio study of van der Waals interaction of CO₂ with Ar. J. Chem. Phys., 104, 6569 (1996).

1.3. P. Sandler, V. Buch, J. Sadlej, Ground and excited states of the complex of CO with water: a diffusion Monte Carlo study, J. Chem. Phys., 105, 10387 (1996).

1.4. P. Sandler, J. Sadlej, T. Feldman, V. Buch, Intramolecular excitations in the H₂O^...CO complex studied by diffusion Monte Carlo calculations, J. Chem. Phys., 107, 5022 (1997).

1.5. A. P. Mazurek, J. Cz. Dobrowolski, J. Sadlej, Ab initio calculation of the NMR shielding constants for histamine, J. Mol. Struc., 436-437,435 (1997).

1.6. M. Pecul, K. Jackowski, K. Wozniak, J. Sadlej, Ab initio calculation of ¹H and ¹³C NMR shielding constants in solid acetylene, Solid State NMR, 8, 139 (1997).

1.7. J. Sadlej, J. Markiewicz, G. Chalasinski, Ab initio study of energy, structure and dynamics of the water-carbon dioxide complex, J. Chem Phys., 109, 3919 (1998).

1.8. U. Buck, I. Ettischer, M. Melzer, V. Buch, J. Sadlej, Structure and spectra of three-dimensional (H₂O)_n clusters, n=8,9,10, Phys. Rev. Letters, 80, 2578 (1998).

1.9. A.P.Mazurek, L.Kozerski, J.Sadlej, R.Kawecki, E.Bednarek, J.Sitkowski, J.Dobrowolski, J.K.Maurin, K.Biniecki, J.Witkowska, P.Fiedor, J.Pachecka, Genistein complexes with amines: structure and properties, J. Chem. Soc., Perkin Trans. 2, (1998), 1223

1.10. M. Pecul, J. Sadlej. Solvent effects on NMR spectrum of acetylene calculated by ab initio method, Chem. Phys., 234, 11 (1998)

1.11. P. Sandler, V. Buch, J. Sadlej, Simulations of H₂O solid, liquid and clusters, with an emphasis on ferroelectric ordering transition in hexagonal ice J. Phys. Chem. B, feature articel, 102, 8641(1998).

1.12. J. Brudermann, M. Melzer, U. Buck, J. K. Kazimirski, J. Sadlej, The asymmetric cage structure of (H₂O)₇ from a combined spectroscopic and computational study, J. Chem. Phys., 110, 10649 (1999).

1.13. R. Bukowski, J. Sadlej, B. Jeziorski, P. Jankowski, K. Szalewicz, S. A. Kucharski, H. L. Williams, B. M. Rice, Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory, J. Chem. Phys., 110, 3785 (1999).

1.14. M. Pecul, J. Sadlej The influence of electrostatic and dispersion interaction on NMR parametrs of acetylene, Chem. Phys., 248, 27 (1999).

1.15. M. Pecul, M. Jaszunski, J. Sadlej, The geometry dependence of the spin-spin coupling constants in ethane: a theoretical study, Chem. Phys. Letters, 305, 139 (1999).

1.16. J. Sadlej, V. Buch, J. K. Kazimirski, U. Buck, Theoretical study of structure and spectra of cage water clusters, (H₂O)_n n=7-10, J. Phys. Chem.. A, 103, 4933 (1999).

1.17. M. Pecul, J. Sadlej, The nuclear spin-spin coupling constants in the water dimer Chem. Phys. Letters, 308, 486 (1999).

1.18. J. Sadlej, R. Moszynski, J. Cz. Dobrowolski, A. P. Mazurek, Structure and energetics of the weakly bound NH₃^...H₂O complex, J. Phys. Chem.A., 103, 8528 (1999).

1.19. M. Rode, J. Sadlej, R. Moszynski, P. E. S. Wormer, A. van der Avoird, The importance of high-order correlation effects for the CO^...CO interaction potential, Chem. Phys. Letters, 314, 326 (1999)

1.20. Z. Kisiel, E. Bialkowska-Jaworska, L. Pszczólkowski, A. Millet, C. Struniewicz, R. Moszynski, J. Sadlej, The observation and properties of weakly bound trimer J. Chem. Phys., 112, 5767 (2000)

1.21. G. Myszkiewicz, J. Sadlej, Ab initio study for the intermolecular potential of the water-nitric oxide complex, Chem. Phys. Letters. , 318, 232 (2000).

1.22. M. Pecul, J. Leszczynski, J. Sadlej, Comprehensive ab initio studies of NMR shielding and coupling constants in XH^...O hydrogen bonded complexes of simple organic molecules, J. Chem. Phys., 112, 7930 (2000).

1.23. M. Pecul, J. Sadlej, The nuclear spin-spin coupling constants in methanol and methylamine: geometry and solvent effects. Chem. Phys., 255, 137 (2000). 1.24. A.P. Mazurek, J. Cz. Dobrowolski, J. Sadlej, E. Bednarek, L. Kozerski, Genistein complexes with amines: Part II. Ab initio study of the complex with piperazine and triethylamine, J. Mol. Structure, 520, 45 (2000).

1.25. K. Jackowski, M. Wilczek, M. Pecul, J. Sadlej, Nuclear Magnetic Shielding and Spin-spin Coupling of 1,2 ¹³C-Enriched Acetylene in gaseous mixture with xenon and carbon dioxide, J. Phys. Chem. A, 104, 5955 (2000).

1.26. M. Pecul, J. Leszczynski, J. Sadlej, The shielding constants and scalar coupling in NH^...OC and NH^...NC hydrogen bonded systems: J. Chem. Phys., 113, 10835 (2000).

1.27. Sadlej J., Theoretical study of structure and spectra of cage clusters (H₂O)_n, n=11,12. Chemical . Physics. Letters, 333, 485 (2001).

1.28. Devlin J.P., Sadlej J., Buch V., Infrared spectra of large H₂O clusters: new understanding of the elusive bending mode of ice., Journal Physical Chemistry, B. 105, 974 (2001).

1.29. Lewandowski J., Pecul M., Sadlej J., Benchmark calculations of the shielding constants in the water dimer, Chemical Physics Letters, 333, 139 (2001). 1.30. Rode M., Sadlej J., Moszynski R., Wormer P. E. S., van der Avoird A., Reply to the comment on ? The importamce of high-order correlation effects for the CO^...CO interaction potential?, Chemical Physics Letters, 334, 424 (2001).

1.31. Rode M. F., Sadlej J., The (H₂O)₂CO ternary complex: cyclic or linear? Chemical Physics Letters, 342, 220 (2001).

1.32. Pecul M., Sadlej J., Leszczynski J., The FH coupling constants transmitted through covalent, hydrogen bond, and van der Waals interactions, Journal of Chemical Physics, 115, 5498 (2001).

1.33. Milet A., Struniewicz C., Moszynski R., Sadlej J., Kisiel Z., Bialkowska-Jaworska E., Pszczólkowski L., Structure and properties of weakly bound trimer (H₂O)₂HCl. Theoretical predictions and comparison with high-resolution rotational spectroscopy, Chemical Physics, 271 , 267 (2001).

1.34. Dobrowolski J. Cz., Sadlej J., Mazurek A. P., Why g- and d- are less active than b-lactams? An ab initio study, Polish Journal of Chemistry, 75, 1277 (2001).

1.35. Devlin J. P., Uras N., Sadlej J., Buch V., Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particels, Nature, 417, (2002), 269-271.

1.36. Buch V., Sadlej J., Uras N., Devlin J. P., Solvation and Ionization Stages of HCl on Ice Nanoparticels, Journal of Physical Chemistry A, feature articel, 106 (2002) , 9374-9389.

1.37. Rode M. F., Sadlej J., Ab initio calculations of nonadditive effects in the trimers (H₂O)₂^...XY, XY=N₂, BF, CS, Chemical Physics Letters, 358, (2002), 237-249.

1.38. Pecul M., Sadlej J., The spin-spin coupling constants in the ammonia dimer, Chemical Physics Letters, 360, (2002), 272-282.

1.39. Rzepkowska J., Uras N., Sadlej J., Buch V., Intermolecular potential for ammonia-aqueous mixture, Journal of Physical Chemistry A., 106, (2002), 1790-1796.

1.40. Sadlej J., Ab initio study of bending modes in water cage clusters (H₂O)_n, n=6-10, International Journal of Quantum Chemistry, 90, (2002), 1191-1205-. 1.41. Struniewicz C., Milet A., Sadlej J., Moszynski R., Theoretical study of the hydrogen chloride trihydrate, International Journal of Quantum Chemistry, 90, (2002), 1151-1162.

1.42. Dobrowolski J. Cz., Kolos R, Sadlej J., Mazurek A. P., Theoretical and IR-matrix isolation studies on the urea and urea-D ¹³C and 1,3 ¹⁵N substituted molecules, Vibrational Spectroscopy, 29, (2002) 261-282.

1.43. Sadlej J., Water cage clusters (H₂O)_n, from n=6 to 12: do they model liquid water? Bulletin of the Polish Academy of Sciences, Chemistry, 50, (2002) 403-422.

1.44. Rode M. F., Sadlej J., The nonadditive effects in the mixed trimers composed of the water dimer and diatomics H₂, HF, HCl, HBr, ClF Chemical Physics Letters, 368, (2003) 754-768 .

1.45. Pecul M. ,Sadlej J., Helgaker T. Calculations of hydrogen-bond- transmitted indirect nuclear spin-spin coupling: a comparison of density-functional and ab initio methods, Chemical Physics Letters, 372, (2003) 476-484.

1.46. Cybulski H., Pecul M., Sadlej J. , Characterization of dihydrogen-bonded D-H^...H-A complexes on the basis of infrared and magnetic resonance spectroscopic parametrs Journal of Chemical Physics, 119, (2003) 5094-5104.

1.47. Kisiel Z. , Pietrewicz B., A. Desyatnyk O., Pszczólkowski L., Struniewicz I., Sadlej J. Structure and properties of the weakly bound cyclic trimer (H₂O)₂HBr observed by rotational spectroscopy, Journal of Chemical Physics, 119, (2003) 5907-5917.

1.48. Dobrowolski J. Cz., Sadlej J., Mazurek A. P. , The model monobactam and nocardicin: an ab initio calculation, Journal of Molecular Structure (Theochem), 638, (2003) 229-234.

1.49. Pecul M., Sadlej J., Ab initio calculations of the intermolecular nuclear spin-spin coupling constants, Computational Chemistry, review of Current Trends, vol. 8, 131-160, ed. J. Leszczynski, World Scientific, N. Y. 2003.

1.50. Buch V., Mohamed F., Krack M., Sadlej J., Devlin J. P., Parrinello M., Solvation states of HCl in mixed ether:acid crystals: a computational study Journal of Chemical Physics, 121, (2004) 12135-12138.

1.51. Devlin J. P., Sadlej J., Hollman M., Buch V., Solvation stages of HCl and HBr in crystalline phases with methanol and small ethers Journal of Physical Chemistry A, 108, (2004) 2030-2043.

1.52. Ratajczyk T., Pecul M., Sadlej J., The nature of the rotational barriers in simple carbonyl compounds Tetrahedron , 60, (2004) 179-185.

1.53. Ratajczyk T., Pecul M., Sadlej J., Helgaker T., Potential energy and spin-spin coupling constants surface of glycolaldehyde Journal of Physical Chemistry A, 108, (2004) 2758-2769.

1.54. Andrzejewska A., Sadlej J., Ab initio on mixed methanol-hydrogen chloride dimer and trimer Chemical Physics Letters, 393, (2004) 228-235.

1.55. Rode M. F., Roszak Sz., Szymczak J. J., Sadlej J., Leszczyński J., The effect of electron detachment on the structure and properties of the chlorine-acetonitrile anionic complex, Journal of Chemical Physics, 121, (2004) 6277-6281.

1.56. Dobrowolski J. Cz., Sadlej J., Mazurek A. P., The ab initio study on model b-lactam antibiotics, Journal of Molecule Structure (Theochem) , 684, (2004) 181-186.

D. Reviews and books

1. J. Sadlej "Zastosowanie kwantowo-chemicznych metod obliczeniowych w chemii organicznej". Wiadomo?ci Chemiczne., 40, 149 (1986).

2. Rozdział w ksišżce "Spektroskopia oddziaływań międzymolekularnych", pod redakcjš Z. Kęckiego, Wyd. UW, Warszawa, 1972.

3. J. Sadlej "Półempiryczne metody chemii kwantowej. CNDO, INDO, NDDO". Monografia. ("Semiempirical methods in quantum chemistry", in Polish) PWN., Warszawa 1977.

4. J. Sadlej "Kwantowo-chemiczne badania spektroskopowych efektów oddziaływań w roztworach elektrolitów. Wydawnictwa UW, Warszawa, 1982. Dissertationes Universitatis Varsoviensis.

5. J. Sadlej "Semiempirical Methods of Quantum Chemistry. E. Horwood LTD (Chichester, England) and PWN (Warsaw), 1985. Monografe.

6. Rozdział w materiałach z IX Szkoły Fizykochemii Organicznej, wyd. Poznań, 1985.

7. J. Sadlej "Metody obliczeniowe chemii kwantowej. Ab initio, CNDO, INDO, NDDO" PWN, Warszawa, 1988. Monografia (in Polish).

8. Rozdział w skrypcie: Wybór ćwiczeń laboratoryjnych z chemii fizycznej dla studentów biologii, wyd. UW, Warszawa, 1988.

9. Rozdział w książce: "Metody kwantowe w fizyce i chemii powierzchni", Wyższa Szkoła Pedagogiczna w Częstochowie, 1985.

10. W. Kolos, J. Sadlej, Atom i czasteczka WNT, Warszawa, 1998, (textbook in Polish) pozycja wyróżniona na targach ksiazki akademickiej, Atena wydana w serii podreczników akademickich z chemii fizycznej.

11. J. Sadlej "Spektroskopia Molekularna", WNT, Warszawa, 2002 , textbook in (Polish) wydana w serii podreczników akademickich z chemii fizycznej

12. Redakcja haseł do chemii fizycznej, Szkolna encyklopedia: Chemia, WSiP, Warszawa, 2002.