WÓJCIK, Marek Janusz; Professor

Laboratory of Molecular Spectroscopy, Faculty of Chemistry, Jagiellonian University
Phone: +(48) 12-663-29-13
Fax:    +(48) 12-634-05-15
E-mail: wojcik@chemia.uj.edu.pl


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Education:

1963-68

Undergraduate Study in Chemistry, Jagiellonian University.

1968

M.Sc. in Chemistry (First Class Honours).

1969-73

Graduate Study (Ph.D.) in Chemistry, Jagiellonian University.

1973

Ph.D. in Chemistry.

1974-76

Postgraduate Study in Journalism, Jagiellonian University.

1980

Doctor of Science in Physical Chemistry (Habilitation).

1996

Title of Professor of Chemical Sciences.

Appointments (all at the Faculty of Chemistry, Jagiellonian University, Krakow):

1968-69

 Assistant in Research.

1972-74

 Assistant Lecturer.

1974-81

 Lecturer.

Since 1981

 Head, Laboratory of Molecular Spectroscopy.

1981-84

 Assistant Professor.

1984-96

 Associate Professor.

1996-2003

 Professor.

Since 2003

 Distingushed Professor.

Foreign experience:

1977-78 

Research Associate, Atlantic Regional Laboratory, National Research Council, Halifax, Canada (13 months, with Dr. M. Falk).

1981-89

Visiting Scientist, Institute of Chemistry, University of Uppsala, Sweden (4 visits for a total of 10 months, with Doc. J. Lindgren).

1982-83

Fellow of the Japan Society for the Promotion of Science, University of Tokyo, Japan (1 year, with Professor M. Tsuboi).

1984-86

Research Associate, James Franck Institute, University of Chicago, U.S.A. (2 years, with Professor S.A. Rice).

1991-92

Visiting Professor, Department of Chemistry, Oklahoma State University, Stillwater, U.S.A. (6 months, host Professor J.P. Devlin).

1992

Visiting Research Scholar, Department of Chemistry, University of Illinois, Chicago, U.S.A. (6 months, with Professor V. Buch).

1997-98

Visiting Professor, Institute for Molecular Science, Okazaki, Japan (1 year, host Professor H. Nakamura).

2000-02

Visiting Professor, High Energy Accelerator Research Organization, Tsukuba, Japan (3 visits for a total of 9 months, host Professor S. Ikeda).

2007

Visiting Professor, Kwansei-Gakuin University, Sanda, Japan (2 months, host Professor Y. Ozaki).

2007-10

Visiting Professor, Technical University of Munich, Germany (4 visits for a total of 4 months, host Professor W. Domcke).

2011

Visiting Professor, Kyushu University, Fukuoka, Japan (6 months, host Professor K. Yoshizawa).

2012

Visiting Professor, Malaya University, Kuala Lumpur, Malaysia (1 month, host Professor Rauzah Hashim).

2013

Visiting Professor, Kwansei-Gakuin University, Sanda, Japan (2 months, host Professor Y. Ozaki).

2015

Visiting Professor, Kwansei-Gakuin University, Sanda, Japan (2 months, host Professor Y. Ozaki).

2016

Visiting Professor, RIKEN, Kobe, Japan (2 months, host Dr. T. Nakajima).

Short-term scientific visits in United States, Canada, Japan, Sweden, Germany, France, U.K., Italy, Norway, Denmark, Ukraine, Portugal, Spain, Switzerland, Belgium, Iceland, Republic of South Africa, Israel, China, Brazil, Chile, Australia, New Zealand

Research interests:

Major field: theoretical molecular spectroscopy. Hydrogen-bonded systems. Theory of the infrared spectra. Fine structure of XH bands in hydrogen-bonded systems. Ab initio calculations of harmonic and anharmonic force constants. Adiabatic approximation in vibrational calculations. Resonance interactions. Fermi resonance. Shapes and widths of infrared bands. Temperature dependence of infrared spectra. Isotopic effects. Vibrational spectra of nucleic acid bases. SCF methods in vibrational calculations. Ab initio calculations in the ground and excited states of molecules. Theory of multidimensional proton tunneling. Intra and intermolecular potential energies for water. Theoretical calculations of vibrational spectra of water, water clusters and aqueous ionic solutions. Theoretical modeling of infrared and polarized Raman spectra of ices and of molecules absorbed in ices. Ab initio calculations of ion-water complexes. Infrared studies of solvation of cations in water-acetonitrile mixtures. Coupling of hindered rotation with vibrations and electronic states in molecules with CH3 groups. Modeling of vibrational spectra of complex molecular systems by Car-Parrinello molecular dynamics.

Teaching experience:

Taught the following undergraduate and postgraduate courses in physical chemistry since 1968: thermodynamics, kinetics, molecular spectroscopy, optical and magnetic properties of matter, molecular spectroscopy, hydrogen bonding and quantum chemistry.
Undergraduate course "General Chemistry" (Chemistry 1215) in Oklahoma State University, Stillwater, OK, U.S.A. (Fall Semester 1991).

Organization of conferences:

  1. Japanese-Polish Seminar "Advances in Hydrogen Bond Research", 6-8 June, 2002, Tsukuba, Japan

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  1. XXVII European Congress on Molecular Spectoscopy, Session "Spectroscopy of Hydrogen-Bonded Systems", 5-10 September 2004, Kraków, Poland
  2. International Conference of Computational Methods in Sciences and Engineering, Symposium "Advances in Hydrogen Bond Research", 26 October - 1 November 2006, Chania, Crete, Greece
  3. International Symposium "Frontiers of Quantum Chemistry", 11 November 2015, Nishinomiya, Japan

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List of publications:

  1. A. Witkowski and M. Wójcik. Anharmonic Coupling in the Infrared Spectra of a Simple Hydrogen Bond: Derivation of the Vibrational Hamiltonian. BULLETIN DE L'ACADEMIE POLONAISE DES SCIENCES: SERIE DE SCIENCES CHIMIQUES, 19, 577 (1971).
  2. A. Witkowski and M. Wojcik. Infrared Spectra of Hydrogen Bond: A General Theoretical Model. CHEMICAL PHYSICS, 1, 9 (1973).
  3. A. Witkowski and M. Wojcik. Infrared Spectra of the Hydrogen Bonded Crystals: 1-Methylthymine. CHEMICAL PHYSICS LETTERS, 20, 615 (1973).
  4. A. Witkowski and M. Wojcik. Infrared Spectra of Hydrogen Bonded Crystals: Uracil. CHEMICAL PHYSICS LETTERS, 26, 327 (1974).
  5. M. Wojcik. IR Spectra of the Hydrogen Bond: Anharmonic Interactions in the Carboxylic Acid Dimers. BULLETIN DE L'ACADEMIE POLONAISE DES SCIENCES: SERIE DE SCIENCES CHIMIQUES, 22, 71 (1974).
  6. M.J. Wojcik. Theory of the Infrared Spectra of the Hydrogen Bond in Molecular Crystals. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 10, 747 (1976).
  7. M.J. Wojcik. Energy States of Molecules. Article for ENCYCLOPEDIA OF CHEMISTRY, PWN, Warsaw (in Polish).
  8. M.J. Wojcik. Theory of the Hydrogen Bond. Article for ENCYCLOPEDIA OF CHEMISTRY, PWN, Warsaw (in Polish).
  9. A. Witkowski and M. Wojcik. Dynamic Interactions of Hydrogen Bonds in Oxalic Acid Crystals, CHEMICAL PHYSICS, 21, 385 (1977).
  10. M.J. Wojcik. Temperature Dependence of the Infrared Spectra of the Hydrogen Bond in the Gaseous ClH...O(CH3)2 Complex. CHEMICAL PHYSICS LETTERS, 46, 597 (1977).
  11. M.J. Wojcik. Quantitative Interpretation of Temperature Changes in Hydrogen Bond Spectra of the Gaseous Hydrochloride-Dimethylether Complex. JOURNAL OF MOLECULAR STRUCTURE, 47, 303 (1978).
  12. M.J. Wojcik. Note on the Applicability of the Witkowski-Marechal Theory at Low Temperatures. JOURNAL OF CHEMICAL PHYSICS, 68, 2015 (1978).
  13. M.J. Wojcik. Theoretical Interpretation of the Infrared Spectra of the Hydrogen Bond. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY: QUANTUM CHEMISTRY SYMPOSIUM, 12, 219 (1978).
  14. M.J. Wojcik. Fermi Resonance in Dimers: A Model Study. MOLECULAR PHYSICS, 36, 1757 (1978).
  15. M.J. Wojcik and M. Falk. Band Shapes of Infrared Absorption Spectra of Isotopically Diluted X-H Groups in Hydrogen-Bonded Crystals. CHEMICAL PHYSICS LETTERS, 56, 450 (1978).
  16. M.J. Wójcik. Correction. CHEMICAL PHYSICS LETTERS, 57, 482 (1978).
  17. M. Falk and M.J. Wojcik. Effect of Temperature and Hydrogen-Bond Strength on the Infrared Absorption of Isolated OH Oscillators: Crystalline L-Ascorbic Acid. SPECTROCHIMICA ACTA, 35A, 1117 (1979).
  18. M.J. Wojcik and M. Falk. Static and Dynamic Contributions to Infrared Band Shapes of X-H Stretching Vibrations in Hydrogen-Bonded Systems. BULLETIN DE L'ACADEMIE POLONAISE DES SCIENCES: SERIE DE SCIENCES CHIMIQUES, 27, 825 (1979).
  19. M.J. Wojcik. Fermi Resonance in Crystals of Acetic and D-Acetic Acid. JOURNAL OF MOLECULAR STRUCTURE, 62, 71 (1980).
  20. M.J. Wojcik. Infrared Spectra of Hydrogen-Bonded Salicylic Acid and Its Derivatives. Salicylic Acid and Acetylsalicylic Acid. CHEMICAL PHYSICS LETTERS. 83, 503 (1981).
  21. M.J. Wojcik and C. Paluszkiewicz. Infrared Spectra of Hydrogen-Bonded Salicylic Acid and Its Derivatives. Methyl Salicylate, CANADIAN JOURNAL OF CHEMISTRY, 61, 1449 (1983).
  22. M.J. Wojcik, J. Lindgren and J. Tegenfeldt. Note on Theoretical Interpretation of Isotopic Ratio vOH/vOD versus vOH in Isotopically Diluted HDO Molecules in Solid Hydrates. CHEMICAL PHYSICS LETTERS, 99, 112 (1983).
  23. M.J. Wojcik and J. Lindgren. Study of the Additivity of Internal and External Potentials for Simple Complexes of the HDO Molecule. CHEMICAL PHYSICS LETTERS, 99, 116 (1983).
  24. M.J. Wojcik, A.Y. Hirakawa, M. Tsuboi, S. Kato and K. Morokuma. Ab Initio MO Calculation of Force Constants and Dipole Derivatives for the Formamide Dimer. An Estimation of Hydrogen-Bond Force Constants. CHEMICAL PHYSICS LETTERS, 100, 523 (1983).
  25. M.J. Wójcik. Correction. CANADIAN JOURNAL OF CHEMISTRY, 63, 1344 (1985).
  26. C. Paluszkiewicz, M.J. Wojcik and M. Bala. Infrared Spectra of Hydrogen-Bonded Salicylic Acid and Its Derivatives. Salicylaldehyde. BULLETIN OF THE POLISH ACADEMY OF SCIENCES: CHEMISTRY, 33, 361 (1985).
  27. M.J. Wojcik, A.Y. Hirakawa and M. Tsuboi. Ab Initio Calculation of Cubic Force Constants in Formamide Monomer, Formamide Dimer, Formic Acid Dimer and Their D, D2 and D4 Derivatives. An Estimation of Fermi Resonance and Intra-Intermolecular Coupling. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY: QUANTUM BIOLOGY SYMPOSIUM, 13, 133 (1986).
  28. M.J. Wojcik. Theoretical Interpretation of Infrared Spectra of the Cl-H Stretching Vibration in the Gaseous (CH3)2O...HCl Complex. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 29, 855 (1986).
  29. M.J. Wojcik. Note on Theoretical Interpretation of Infrared Spectra of Cl-H and Cl-D in Gaseous (CH3)2O...HCl and (CH3)2O...DCl Complexes. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 30, 567 (1986).
  30. M.J. Wojcik and S.A. Rice. The Vibrational Spectrum of the Water Dimer: Some Model Based Predictions. JOURNAL OF CHEMICAL PHYSICS, 84, 3042 (1986).
  31. M.J. Wojcik and S.A. Rice. Infrared Spectra of Pentagonal, Hexagonal and Heptagonal Rings of Water: A Model Study. CHEMICAL PHYSICS LETTERS, 128, 414 (1986).
  32. M.J. Wojcik. Intermolecular Interactions in Water. JOURNAL OF MOLECULAR STRUCTURE, 189, 89 (1988).
  33. M.J. Wojcik. Low-Frequency Vibrational Spectra of Crystalline Uracil,Thymine and Their 1-Methyl-Derivatives. JOURNAL OF MOLECULAR STRUCTURE, 189, 239 (1988).
  34. M.J. Wojcik, H. Rostkowska, K. Szczepaniak and W.B. Person. Vibrational Resonances in Infrared Spectra of Uracils. SPECTROCHIMICA ACTA, 45A, 499 (1989).
  35. M.J. Wojcik. Medium-Frequency Raman Spectra of Crystalline Uracil, Thymine and Their 1-Methyl Derivatives. JOURNAL OF MOLECULAR STRUCTURE, 219, 305 (1990).
  36. P.J. Piskorz and M.J. Wojcik. Theoretical Analysis of the νN-H IR Spectral Band of Crystalline Uracil. JOURNAL OF MOLECULAR STRUCTURE, 242, 263 (1991).
  37. M.J. Wojcik. Re-Investigation of Medium-Frequency Raman Spectra of Crystalline Uracil, Thymine and Their 1-Methyl Derivatives. ACTA CHIMICA UNIVERSITATIS JAGELLONICAE, 34, 31 (1991).
  38. M.J. Wojcik. Intermolecular Interactions in Water. FIZIKA MNOGOCHASTICHNYKH SISTEM, NAUKOVA DUMKA, KIEV, 19, 66 (1991).
  39. H.G. Hixson, M.J. Wojcik, M.S. Devlin, J.P. Devlin and V. Buch. Experimental and Simulated Vibrational Spectra of H2 Absorbed in Amorphous Ice: Surface Structures, Energetics and Relaxations. JOURNAL OF CHEMICAL PHYSICS, 97, 753 (1992).
  40. M.J. Wojcik, K. Hermansson, J. Lindgren and L. Ojamäe. Theoretical Simulation of OH and OD Stretching Bands of Isotopically Diluted HDO Molecules in Aqueous Solution. CHEMICAL PHYSICS, 171, 189 (1993).
  41. J. Lindgren, K. Hermansson and M.J. Wojcik. Theoretical Simulation and Experimental Determination of OH and OD Stretching Bands of Isotopically Diluted HDO Molecules in Aqueous Electrolyte Solutions. JOURNAL OF PHYSICAL CHEMISTRY, 97, 5254 (1993).
  42. M.J. Wojcik, V. Buch and J.P. Devlin. Spectra of Isotopic Ice Mixtures. JOURNAL OF CHEMICAL PHYSICS, 99, 2332 (1993).
  43. M.J. Wojcik, K. Hermansson, J. Lindgren and L. Ojamäe. Theoretical Simulation of OH and OD Stretching Bands in Isotopically Diluted HDO Molecules in Lithium Formate Solution. in: M.-C. Bellisent-Funel and J.C. Dore (Eds.). HYDROGEN BOND NETWORKS. Kluwer Academic Publishers. Dordrecht 1994, p. 251.
  44. P.Piskorz and M. Wojcik. Low Frequency Raman Spectra of Crystalline Cytosine and Thiocytosine. in: N.-T. Yu and X.-Y. Li (Eds.). PROCEEDINGS OF THE XIVTH INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY. John Wiley & Sons. Chichester 1994, p. 170.
  45. M.J. Wojcik, V. Buch and J.P. Devlin. Properties of Vibrationally Excited States and Vibrational Spectra of Isotopic Ice Mixtures. in: N.-T. Yu and X.-Y. Li (Eds.). PROCEEDINGS OF THE XIVTH INTERNATIONAL CONFERENCE ON RAMAN SPECTROSCOPY (APPENDIX). John Wiley & Sons. Chichester 1994, p. 267.
  46. M.J. Wojcik, G.J. Mains and J.P. Devlin. Theoretical Study of [Li(H2O)n]+ and [K(H2O)n ]+  (n=1-4) Complexes. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 53, 49 (1995).
  47. P.J. Piskorz and M.J. Wojcik. Ab Initio Calculations of Hydrogen-Bonded Dimers of Uracil and 1-Methyluracil. JOURNAL OF MOLECULAR STRUCTURE (THEOCHEM), 332, 217 (1995).
  48. B. Rowland, S. Kadagathur, J.P. Devlin, V. Buch, T. Feldman and M.J. Wojcik. Infrared Spectra of Ice Surfaces and Assignment of Surface-Localized Modes from Simulated Spectra of Cubic Ice. JOURNAL OF CHEMICAL PHYSICS, 102, 8328 (1995).
  49. W. Siebrand, M.Z. Zgierski, F. Zerbetto, M.J. Wojcik, M. Boczar, T. Chakraborty, W.G. Kofron and E.C. Lim. Rotor-Vibrator Couplings in Partially Deuterated Toluenes. JOURNAL OF CHEMICAL PHYSICS, 106, 6279 (1997).
  50. D. Jamroz, M.J. Wojcik, J. Lindgren and J. Stangret. Solvation of Al.3+ , Fe3+ and Cr3+ Cations in Water-Acetonitrile Mixture Studied by IR Spectroscopy. JOURNAL OF PHYSICAL CHEMISTRY, 101B, 6758 (1997).
  51. P.J. Piskorz and M.J. Wojcik. Application of the VSCF Theory to Coupled Vibrations in Hydrogen-Bonded Systems. POLISH JOURNAL OF CHEMISTRY, 72, 387 (1998).
  52. M.J. Wojcik. M. Boczar and M. Stoma. Spectroscopic and Theoretical Study of Vibrational Spectra of Hydrogen-Bonded Tropolone. INTERNATIONAL JOUNAL OF QUNTUM CHEMISTRY, 73, 275 (1999).
  53. M.J. Wojcik. My Stay at the Institute for Molecular Science in Okazaki. BULLETIN OF THE INSTITUTE FOR MOLECULAR SCIENCE, OKAZAKI, JAPAN, 40, 31 (1999).
  54. M.J. Wojcik, H. Nakamura, S. Iwata and W. Tatara. Theoretical Study of Multidimensional Proton Tunneling in the Excited State of Tropolone. JOURNAL OF CHEMICAL PHYSICS, 112, 6322 (2000).
  55. D. Jamroz, M. Wojcik and J. Lindgren. Solvation of Cr3+ Cation in Water-Acetonitrile Mixture Studied by IR Spectroscopy: Molecular Penetration into the Solvation Shells. SPECTROCHIMICA ACTA, A56, 1939 (2000).
  56. M.J. Wojcik, M. Boczar, M. Wieczorek and W. Tatara. Spectroscopic and Theoretical Study of Vibrational Spectra of Hydrogen-Bonded 2,4-Dithiouracil. JOURNAL OF MOLECULAR STRUCTURE, 555, 165 (2000).
  57. M.J. Wojcik, W. Tatara, M. Boczar, A. Apola and S. Ikeda, Spectroscopic and Theoretical Study of Vibrational Spectra of Hydrogen-Bonded 2-Pyridone. JOURNAL OF MOLECULAR STRUCTURE, 596, 207 (2001).
  58. M.J. Wojcik, M. Boczar and T.A. Ford. Ab Initio Study of Energies, Structures and Vibrational Spectra of the Complexes of Water with Carbon Oxysulfide and Nitrous Oxide. CHEMICAL PHYSICS LETTERS, 348, 126 (2001).
  59. M. Boczar, M.J. Wojcik, K. Szczeponek, D. Jamroz and S. Ikeda. Theoretical Simulation of the Infrared Spectrum of Salicylaldehyde. BULLETIN OF THE POLISH ACADEMY OF SCIENCES: CHEMISTRY, 50, 11 (2002).
  60. M. Boczar, M.J. Wojcik, K. Szczeponek, D. Jamroz and S. Ikeda. Theoretical Modeling of Infrared Spectra of Salicylaldehyde and Its Deuterated Derivatives. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 90, 689 (2002).
  61. M.J. Wojcik, W. Tatara and S. Ikeda. Theoretical Study of Multidimensional Proton Tunneling in the Hydrogen Carbonate Dimer Ion [(HCO3)2]2-. JOURNAL OF MOLECULAR STRUCTURE, 614, 105 (2002).
  62. M.J. Wójcik, K. Szczeponek and S. Ikeda. Theoretical Study of the OH/OD Stretching Regions of the Vibrational Spectra of Ice Ih. JOURNAL OF CHEMICAL PHYSICS, 117, 9850 (2002).
  63. M. Wójcik and S. Ikeda. Advances in Hydrogen Bond Research. BULLETIN OF THE POLISH ACADEMY OF SCIENCES: CHEMISTRY, 50, 395 (2002).
  64. M. Boczar, M.J. Wójcik, K. Szczeponek, D. Jamróz and A. Zięba. Theoretical Simulation of the Infrared Spectra of Acetylsalicylic Acid. BULLETIN OF THE POLISH ACADEMY OF SCIENCES: CHEMISTRY, 50, 397 (2002).
  65. M. Boczar, M.J. Wójcik, K. Szczeponek, D. Jamróz, A. Zięba and B. Kawałek. Theoretical Modeling of Infrared Spectra of Aspirin and Its Deuterated Derivative. CHEMICAL PHYSICS, 286, 63 (2003).
  66. M.J. Wójcik, K. Szczeponek and M. Boczar. Theoretical Study of Multidimensional Proton Tunneling in Benzoic Acid Dimer. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 4, 422 (2003).
  67. W. Tatara, M.J. Wójcik, J. Lindgren and M. Probst. Theoretical Study of Structures, Energies and Vibrational Spectra of the Imidazole - Imidazolium System. JOURNAL OF PHYSICAL CHEMISTRY, 107A, 7827 (2003).
  68. M. Boczar, K. Szczeponek, M.J. Wójcik and C. Paluszkiewicz. Theoretical Modeling of Infrared Spectra of Benzoic Acid and Its Deuterated Derivative. JOURNAL OF MOLECULAR STRUCTURE, 700, 39 (2004).
  69. M.J. Wójcik. Dynamic Interactions in Hydrogen-Bonded Systems. JOURNAL OF MOLECULAR STRUCTURE, 735-736, 225 (2005).
  70. P. Blaise, M.J. Wójcik and O. Henri-Rousseau. Theoretical Interpretation of the Lineshape of the Gaseous Acetic Acid Dimer. JOURNAL OF CHEMICAL PHYSICS, 122, 064306 (2005).
  71. M. Boczar, Ł. Boda and M.J. Wójcik. Theoretical Modeling of Infrared Spectra of Hydrogen- Bonded Crystals of Salicylic Acid. SPECTROCHIMICA ACTA, A64, 757 (2006).
  72. M. Boczar, Ł. Boda and M. J. Wójcik. Theoretical Model for a Tetrad of Hydrogen Bonds and Its Application to Interpretation of Infrared Spectra of Salicylic Acid. JOURNAL OF CHEMICAL PHYSICS, 124, 084306 (2006).
  73. M. Boczar, Ł. Boda and M. J. Wójcik. Theoretical Model of Infrared Spectra of Hydrogen Bonds in Molecular Crystals and Its Application to Interpretation of Infrared Spectra of 1-Methylthymine. JOURNAL OF CHEMICAL PHYSICS, 125, 084709 (2006).
  74. M.J. Wójcik. Dynamics of Protons in Hydrogen Bonds Studied by Theoretical Methods and Vibrational Spectroscopy. In: G. Maroulis and T. Simos (Eds.). LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES. TRENDS AND PERSPECTIVES IN MODERN COMPUTATIONAL SCIENCE. VSP/Brill. Leiden 2006. Vol. 6, p. 520.
  75. M.J. Wójcik. Advances in Hydrogen Bond Research. In: T. Simos and G. Maroulis (Eds.). LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES. RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING. VSP/Brill. Leiden 2006. Vol. 7B, p. 1087.
  76. H. Ghalla, N. Rekik, N. Issaoui, B. Oujia and M.J. Wójcik. Theoretical Modeling of Infrared Spectra of Cyclic Acetylsalicylic Acid Dimer and Its Deuterated Derivative. In: T. Simos and G. Maroulis (Eds.). LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES. RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING. VSP/Brill. Leiden 2006. Vol. 7B, p. 1124.
  77. N. Issaoui, N. Rekik, H. Ghalla, B. Oujia and M.J. Wójcik. Infrared Spectral Density of Medium Strength H-Bonds within the Strong Anharmonic Coupling Theory. Both Intrinsic Anharmonicity of the Fast Mode and the H-Bond Bridge. Part II: Isotopic Effect. In: T. Simos and G. Maroulis (Eds.). LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES. RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING. VSP/Brill. Leiden 2006. Vol. 7B, p. 1134.
  78. M. Boczar, Ł. Boda and M. J. Wójcik. Theoretical Modeling of the N-H and N-D Stretching Bands of Hydrogen-Bonded 1-Methylthymine Crystal and Its Deuterated Form. COMPUTING LETTERS, 2, 205 (2006).
  79. N. Rekik, N. Issaoui, H. Ghalla, B. Oujia and M.J. Wójcik. Infrared Spectral Density of Hydrogen Bonds within the Strong Anharmonic Coupling Theory. Both Intrinsic Anharmonicity of the Fast Mode and the H-Bond Bridge. Part I: Anharmonic Coupling Parameter and Temperature Effects. JOURNAL OF MOLECULAR STRUCTURE (THEOCHEM), 821, 9 (2007).
  80. N. Rekik, H. Ghalla, N. Issaoui, B. Oujia and M.J. Wójcik. Infrared Spectral Density of Hydrogen Bonds within the Strong Anharmonic Coupling Theory: Quadratic Dependence of the Angular Frequency and the Equilibrium Position of the Fast Mode. JOURNAL OF MOLECULAR STRUCTURE (THEOCHEM), 821, 58 (2007).
  81. M.J. Wójcik and Ł. Boda. Vibrational Interactions in Hydrogen-Bonds Studied by Theoretical Methods and Vibrational Spectroscopy. JOURNAL OF MOLECULAR STRUCTURE, 844-845, 3 (2007).
  82. N. Rekik, N. Issaoui, H. Ghalla, B. Oujia and M.J. Wójcik. Infrared Spectral Density of H-Bonds within the Strong Anharmonic Coupling Theory: Indirect Relaxation Effect. JOURNAL OF MOLECULAR STRUCTURE, 844-845, 21 (2007).
  83. M. Boczar, Ł. Boda and M.J. Wójcik. Theoretical Modeling of the O-H Stretching IR Bands of Hydrogen-Bonded Dimers of Benzoic Acid in S0 and S1 Electronic States. JOURNAL OF CHEMICAL PHYSICS, 127, 084307 (2007).
  84. M. Boczar, J. Kwiendacz and M.J. Wójcik. Theoretical and Spectroscopic Study of Infrared Spectra of Hydrogen-Bonded 1-Methyluracil Crystal and Its Deuterated Derivative. JOURNAL OF CHEMICAL PHYSICS, 128, 164506 (2008).
  85. H. Ghalla, N. Rekik, M. Baazaoui, B. Oujia and M.J. Wójcik. IR Spectral Density of H-Bonds. Both Intrinsic Anharmonicity of the Fast Mode and the H-Bond Bridge. Part II: Isotopic Effect. JOURNAL OF MOLECULAR STRUCTURE (THEOCHEM), 855, 102 (2008).
  86. M.J. Wójcik. Theoretical Modeling of Vibrational Spectra and Multidimensional Proton Tunneling in Hydrogen-Bonded Systems. JOURNAL OF MOLECULAR LIQUIDS, 141, 39 (2008).
  87. N. Rekik, N. Issaoui, B. Oujia and M.J. Wójcik. Theoretical IR Spectral Density of H-bond in Liquid Phase: Combined Effects of Anharmonicities, Fermi resonances, Direct and Indirect Relaxations. JOURNAL OF MOLECULAR LIQUIDS, 141, 104 (2008).
  88. N. Rekik, B. Oujia and M.J. Wójcik. Theoretical Infrared Spectral Density of H-bonds in Liquid and Gas Phases: Anharmonicities and Dampings Effects. CHEMICAL PHYSICS, 352, 65 (2008).
  89. M.J. Wójcik. Theoretical Studies of Dynamic Interactions in Vibrational Spectra and Proton Tunneling in Hydrogen-Bonded Systems. In: S. Monfardini (Ed.). SCIENCE AND SUPERCOMPUTING IN EUROPE. CINECA. Bologna 2008, p. 180.
  90. N. Issaoui, N. Rekik, B. Oujia and M.J. Wójcik. Anharmonic Effects on Theoretical IR Line Shapes of Medium Strong H(D)-Bonds. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109, 483 (2009).
  91. M.J. Wójcik, Ł. Boda and M. Boczar. Theoretical Study of Proton Tunneling in the Excited State of Tropolone. JOURNAL OF CHEMICAL PHYSICS, 130, 164306 (2009).
  92. J. Kwiendacz, M. Boczar, Ł. Boda and M.J. Wójcik. Theoretical and Spectroscopic Study of Infrared Spectra of Hydrogen-Bonded 2,4-Dithiouracil Crystal and Its Deuterated Derivative. POLISH JOURNAL OF CHEMISTRY, 83, 895 (2009).
  93. M. Boczar, Ł. Boda and M.J. Wójcik. Study of Vibrational Spectra of Organic Compounds. In: J. Najbar and A. Turek (Eds.), PHOTOCHEMISTRY AND OPTICAL SPECTROSCOPY. LABORATORY TEXTBOOK. PWN. Warsaw 2009, p. 19 (in Polish).
  94. M.J. Wójcik, M. Boczar and Ł. Boda. IR and Raman Spectroscopy of Hydrogen Bond at Example of Benzoic Acid. Effect of Deuteration. In: J. Najbar and A. Turek (Eds.), PHOTOCHEMISTRY AND OPTICAL SPECTROSCOPY. LABORATORY TEXTBOOK. PWN. Warsaw 2009, p. 40 (in Polish).
  95. D. Jamróz and M.J. Wójcik. Study of Hydration of Ions by Infrared Spectroscopy Method. In: J. Najbar and A. Turek (Eds.), PHOTOCHEMISTRY AND OPTICAL SPECTROSCOPY. LABORATORY TEXTBOOK. PWN. Warsaw 2009, p. 253 (in Polish).
  96. Y. Futami, Y. Ozaki, Y. Hamada, M.J. Wójcik and Y. Ozaki. Frequencies and Absorption Intensities of Fundamentals and Overtones of NH Stretching Vibrations of Pyrrole and Pyrrole-Pyridine Complex Studied by Near-Infrared/Infrared Spectroscopy and Density-Functional-Theory Calculations. CHEMICAL PHYSICS LETTERS, 482, 320 (2009).
  97. M.J. Wójcik, J. Kwiendacz and M. Boczar. Theoretical Model for Infrared Spectra of Hydrogen-Bonded 2,4-Dithiouracil Crystal. In: B. Champagne, F.L. Gu, J.M. Luis and M. Springborg (Eds.). BOOK OF SYMPOSIUM IN HONOUR OF PROFESSOR BERNARD KIRTMAN. INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING. Rhodes 2009, p. 91.
  98. J. Kwiendacz, M. Boczar and M. Wójcik. Theoretical and Spectroscopic Study of Infrared Spectra of Hydrogen-Bonded Imidazole. In: S. Monfardini (Ed.). SCIENCE AND SUPERCOMPUTING IN EUROPE. CINECA. Bologna 2009, p. 18.
  99. M. Boczar, R. Kurczab and M.J. Wójcik. Theoretical and Spectroscopic Studies of Vibrational Spectra of Hydrogen Bonds in Molecular Crystal of α-Oxalic Acid. VIBRATIONAL SPECTROSCOPY, 52, 39 (2010).
  100. N. Issaoui, N. Rekik, B. Oujia and M.J. Wójcik. Theoretical Infrared Line Shapes of H-Bonds within the Strong Anharmonic Coupling Theory. Fermi Resonances Effects. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 110, 2583 (2010).
  101. N. Rekik and M.J. Wójcik. On the Influence of Electrical Anharmonicity on Infrared Bandshape of Hydrogen Bond. CHEMICAL PHYSICS, 369, 71 (2010).
  102. M.J. Wójcik, J. Kwiendacz, M. Boczar, Ł. Boda and Y. Ozaki. Theoretical and Spectroscopic Study of Hydrogen Bond Vibrations in Imidazole and Its Deuterated Derivative. CHEMICAL PHYSICS, 372, 72 (2010).
  103. M.J. Wójcik. Theoretical Studies of Vibrational Spectra of Hydrogen Bonds in Molecular Crystal of α-Oxalic Acid. In: S. Monfardini (Ed.). SCIENCE AND SUPERCOMPUTING IN EUROPE. CINECA. Bologna 2010, p. 60.
  104. J. Kwiendacz, M. Boczar and M.J. Wójcik. Car-Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Imidazole. CHEMICAL PHYSICS LETTERS, 501, 623 (2011).
  105. Y. Futami, Y. Ozaki, Y. Hamada, M.J. Wójcik and Y. Ozaki. Solvent Dependence of Absorption Intensities and Wavenumbers of the Fundamental and First Overtone of NH Stretching Vibration of Pyrrole Studied by Near-Infrared/Infrared Spectroscopy and Density-Functional-Theory Calculations. JOURNAL OF PHYSICAL CHEMISTRY, 115A, 1194 (2011).
  106. T. Gonjo, Y. Futami, Y. Morisawa, M.J. Wójcik and Y. Ozaki. Hydrogen Bonding Effects on the Wavenumbers and Absorption Intensities of the OH Fundamental and the First, Second and Third Overtones of Phenol and 2,6-Dihalogenated Phenols Studied by Visible/Near-Infrared/Infrared Spectroscopy and Density Functional Theory Calculations. JOURNAL OF PHYSICAL CHEMISTRY, 115A, 9845 (2011).
  107. Y. Futami, Y. Morisawa, Y. Ozaki, Y. Hamada, M.J. Wójcik and Y. Ozaki. The Dielectric Constant Dependence of Absorption Intensities and Wavenumbers of the Fundamental and Overtone Transitions of Stretching Vibration of the Hydrogen Fluoride Studied by Quantum Chemistry Calculations. JOURNAL OF MOLECULAR STRUCTURE, 1018, 102 (2012).
  108. M. Brela, J. Stare, G. Pirc, M. Sollner-Dolenc, M. Boczar, M.J. Wójcik and J. Mavri. Car-Parrinello Simulation of the Vibrational Spectrum of a Medium Strong Hydrogen Bond by Two-Dimensional Quantization of the Nuclear Motion: Application to 2-Hydroxy-5-Nitrobenzamide. JOURNAL OF PHYSICAL CHEMISTRY, 116B, 4510 (2012).
  109. M.J. Wójcik, P. Blaise, J. Sadlej and H. Flakus. Recent Advances in Spectroscopy of Hydrogen-Bonded Systems. JOURNAL OF ATOMIC, MOLECULAR AND OPTICAL PHYSICS, 2012, ID 174236 (2012).
  110. M.J. Wójcik, M. Boczar and Ł. Boda. Theoretical Studies of Dynamic Interactions in Excited States of Hydrogen-Bonded Systems. JOURNAL OF ATOMIC, MOLECULAR AND OPTICAL PHYSICS, 2012, ID 985490 (2012).
  111. M.J. Wójcik, J. Kwiendacz and M. Boczar. Theoretical Model for Infrared Spectra of Hydrogen-Bonded 2,4-Dithiouracil Crystal. AIP CONFERENCE PROCEEDINGS, 1504, 548 (2012).
  112. M.Z. Brela, M.J. Wójcik, M. Boczar, R. Hashim. Car-Parrinello Simulation of the Vibrational Spectra of Strong Hydrogen Bonds with Isotopic Substitution Effects: Application to Oxalic Acid Dihydrate. CHEMICAL PHYSICS LETTERS, 558, 88 (2013).
  113. M.J. Wójcik, J. Kwiendacz, M. Boczar, Ł. Boda, Y. Ozaki. Quantum-Mechanical and Car-Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Imidazole. JOURNAL OF MOLECULAR STRUCTURE, 1072, 2 (2014).
  114. E. Wierzbicka, M. Boczar, M.J. Wójcik. Investigation of Hydrogen Bonds Properties in the Terephthalic Acid Crystal, Using Molecular Dynamics Method. SPECTROCHIMICA ACTA, 130A, 488 (2014).
  115. M.J. Wójcik, M. Gług, M. Boczar, Ł. Boda. Spectroscopic Signature for Ferroelectric Ice. CHEMICAL PHYSICS LETTERS, 612, 162 (2014).
  116. M.Z. Brela, M.J. Wójcik, M. Boczar, Ł. Witek, M. Yasuda, Y. Ozaki. Car-Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Vitamin C with Analysis of Double Minimum Proton Potentials for Medium-Strong Hydrogen Bonds. JOURNAL OF PHYSICAL CHEMISTRY, 119B, 7922 (2015).
  117. M. Gług , M. Boczar, Ł. Boda, M.J. Wójcik. Analysis of Librational Modes of Ice XI Studied by Car-Parrinello Molecular Dynamics. CHEMICAL PHYSICS, 459, 102 (2015).
  118. Ł. Boda, M. Boczar, M. Gług, M.J. Wójcik. Quantum-Mechanical Study of Energies, Structures and Vibrational Spectra of the H(D)Cl Complexed with Dimethyl Ether. JOURNAL OF CHEMICAL PHYSICS, 143, 204302 (2015).
  119. K.B. Beć, Y. Futami, M.J. Wójcik Y. Ozaki. Spectroscopic and Theoretical Study in the Near-Infrared Region of Low Concentration Aliphatic Alcohols. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18, 13666 (2016).
  120. M.Z. Brela, M.J. Wójcik, Ł.J. Witek, M. Boczar, E. Wrona, R. Hashim, Y. Ozaki. Born-Oppenheimer Molecular Dynamics Study on Proton Dynamics of Strong Hydrogen Bonds in Aspirin Crystals, with Emphasis on Differences between Two Crystal Forms. JOURNAL OF PHYSICAL CHEMISTRY, 120B, 3854 (2016).
  121. K.B. Beć, Y. Futami, M.J. Wójcik, T. Nakajima, Y. Ozaki. Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region. JOURNAL OF PHYSICAL CHEMISTRY, 120A, 6170 (2016).
  122. K.B. Beć, M.J. Wójcik, T. Nakajima, Quantum Chemical Calculations of Basic Molecules: Alcohols and Carboxylic Acids. NIR News, 27, 15 (2016).
  123. M.J. Wójcik. Theoretical Modeling of Vibrational Spectra and Proton Tunneling in Hydrogen-Bonded Systems. In: S.A Rice and A.R. Dinner (Eds.) ADVANCES IN CHEMICAL PHYSICS, John Wiley & Sons, Inc., 160, 307-342 (2016).
  124. M. Gług, M.Z. Brela, M. Boczar, A.M. Turek, Ł. Boda, M.J. Wójcik, T. Nakajima, Y. Ozaki. Infrared Spectroscopy and Born-Oppenheimer Molecular Dynamics Simulation Study on Deuterium Substitution in the Crystalline Benzoic Acid. JOURNAL OF PHYSICAL CHEMISTRY, 121B, 479 (2017).