{"id":498,"date":"2010-07-12T01:53:53","date_gmt":"2010-07-11T23:53:53","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/wordpress\/?p=498"},"modified":"2026-03-06T11:53:52","modified_gmt":"2026-03-06T10:53:52","slug":"prof-s-grabowski","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/prof-s-grabowski\/","title":{"rendered":"Prof. S\u0142awomir J. Grabowski"},"content":{"rendered":"

Ikerbasque Research Professor<\/a><\/p>\n

\"\"<\/p>\n

<\/p>\n

Contact Details:<\/strong><\/p>\n

Address: Kimika Fakultatea, Euskal Herriko Unibertsitatea
\nPK 1072, 20080, Donostia, Spain
\nPhone : +34 943015341
\nE-mail : s.grabowski [at] ikerbasque.org
\nWWW :<\/p>\n

Main Research Interest<\/strong><\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Analysis of hydrogen bonds in isolated complexes as well as in crystals;<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Dihydrogen bonds;<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Halogen bonds;<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Intermolecular interactions in crystals;<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 The use of the Bader theory to analyze inter- and intramolecular interactions;<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Ab initio and DFT methods;<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Statistical analysis of crystallographic results;<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 The influence on intermolecular interactions on the geometry and arrangement of molecules in crystals.<\/p>\n

Ongoing Projects<\/strong><\/p>\n

1. The Bent rule as a tool explaining the non-bonding interactions<\/strong><\/p>\n

2.Interrelations between QTAIM and ELF methods<\/strong><\/p>\n

3.Different types of the hydrogen bond
\n<\/strong><\/p>\n

Scientific Career<\/strong><\/p>\n

Degrees<\/strong><\/p>\n

1981<\/strong> Postgraduate diploma in chemistry and M.Sc degree<\/p>\n

University of Warsaw (Poland)<\/p>\n

Supervisor <\/span>Professor W\u0142odzimierz Ko\u0142os<\/p>\n

Specialization <\/span>Theoretical Chemistry<\/p>\n

1986<\/strong> The defence of the doctor\u2019s thesis, Ph.D in chemistry<\/p>\n

University of Warsaw (Poland)<\/p>\n

Supervisor <\/span>Professor Tadeusz M. Krygowski<\/p>\n

Specialization<\/span> Crystal Chemistry<\/p>\n

1998 <\/strong>D.Sc in chemistry (Habilitationsschrift)<\/p>\n

Technical University of \u0141\u00f3d\u017a (Poland)<\/p>\n

Research Training<\/strong><\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Z\u00fcrich, Switzerland, E.T.H.Zentrum, Institute of Crystallography and Petrography, 1987 \u2013 two months;<\/p>\n

Research<\/span> carboxylic acids, inductive effect, statistical methods in crystal chemistry<\/p>\n

Supervisor<\/span> Dr. K. Girgis<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Uppsala, Sweden, University of Uppsala, Institute of Inorganic Chemistry, 1988 \u2013 two months;<\/p>\n

Supervisor<\/span> Professor Ivar Olovsson<\/p>\n

Research <\/span>crystal structures of organic compounds<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Grenoble, France, University of Grenoble, Institute of Physics, 1992 \u2013 six months (research grant of French Government);<\/p>\n

Supervisor<\/span> Professor Janine Lajzerowicz<\/p>\n

Research <\/span>crystal structures of organic compounds, intermolecular interactions in crystals<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Jackson MS, USA, Jackson State University, Computational Center for Molecular Structure and Interactions (CCMSI), 2003 – four months; 2004 \u2013 four months; 2005 \u2013 two months; 2006 \u2013 two months; 2008 \u2013 two months<\/p>\n

lecturer during the Summer Institute (2004, 2005, 2006) \u2013 summer school on computational chemistry for Ph.D students of USA, Europe and South America,<\/p>\n

Supervisor<\/span> Professor Jerzy Leszczynski<\/p>\n

Research <\/span>intermolecular interactions, hydrogen bonding, ab initio calculations<\/p>\n

–\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Fukuoka, Japan, Fukuoka University, Chemistry Department, 2009 \u2013 six weeks (January \u2013 February), awarded by Japan Society for the Promotion of Science to do research in Fukuoka in cooperation with Professor Hiroshi Sekiya, research: hydrogen bonding<\/p>\n

Publications List<\/strong><\/p>\n

 <\/p>\n

1 <\/strong>A.Le\u015b, S.Grabowski<\/strong>, Hydration of GABA.Zn2+ <\/sup>Complex: A Monte Carlo Simulation study, Int.J.Quantum Chemistry<\/strong>, 26, 167-181 (1984<\/strong>)<\/p>\n

2 <\/strong>S.J.Grabowski,<\/strong> T.M.Krygowski, Analysis of the Orientational Disorder in Crystals of Carboxylic Acids, Materials Science<\/strong>, 10, 85-89 (1984<\/strong>)<\/p>\n

3 <\/strong>S.J.Grabowski,<\/strong> T.M.Krygowski, Crystallographic Studies and Physicochemical Properties of p-electron Compounds. IV. Structure of 2,5-Dinitrobenzoic Acid, Acta\u00a0 Cryst<\/strong>., C<\/strong>41, 1224-1226 (1985<\/strong>)<\/p>\n

4 <\/strong>S.J.Grabowski<\/strong>, Influence of Environmental Effects on the Geometry of Molecules in Crystals, J.Chem.Res<\/strong>., 252-253 (1988<\/strong>)<\/p>\n

5 <\/strong>S.J.Grabowski<\/strong>, The Hydrogen Bonding in Solids.Part I. The Hydrogen Bonding Model for the O-H..O Systems in Crystals of Carboxylic Acids, Croat.Chem.Acta<\/strong>, 61, 805-814 (1988<\/strong>)<\/p>\n

6 <\/strong>S.J.Grabowski<\/strong>, The Bond Number Relationship for the O-H..O Systems, Croat.Chem. Acta<\/strong>, 61, 815-819 (1988<\/strong>)<\/p>\n

7 <\/strong>S.J.Grabowski,<\/strong> T.M.Krygowski, Atom-atom Potential Calculations on Two Mechanisms for Proton Transfer in Carboxylic Acids Dimers, Chem.Phys.Lett.<\/strong>, 151,\u00a0 425-427 (1988<\/strong>)<\/p>\n

8 <\/strong>S.J.Grabowski,<\/strong> T.M.Krygowski, Effect of the Orientational Disorder on the Observed Geometry of Carboxylic Group in Dimers of Carboxylic Acids in Crystalline State, Croat.Chem.Acta<\/strong>, 62, 485-493 (1989<\/strong>)<\/p>\n

9 <\/strong>S.J.Grabowski<\/strong>, T.M.Krygowski, G.H\u00e4felinger, G.Ritter, Crystallographic Studies and Physicochemical Properties of p-electron Compounds..XVII. The Structure of p-Nitrophenylacetic Acid, Acta Cryst<\/strong>., C<\/strong>46, 428-430 (1990<\/strong>)<\/p>\n

10 <\/strong>S.J.Grabowski<\/strong>, The Hydrogen Bonding in Solids.Part II. The Strength of the O-H Bond and of\u00a0 the H..O Interaction for the O-H..O Systems, Croat.Chem.Acta<\/strong>, 63, 647-652 (1990<\/strong>)<\/p>\n

11 <\/strong>T.Dziembowska, B.Szczodrowska, T.M.Krygowski, S.J.Grabowski<\/strong>, Estimation\u00a0 of the OH..O Interaction Energy in the Intramolecular Hydrogen Bonds: A Comparative Study, J.Phys.Org.Chem<\/strong>., 7, 142-146 (1994<\/strong>)<\/p>\n

12 <\/strong>S.J.Grabowski<\/strong>, The Structure of Piperidinium 2,4-Dinitrophenolate, Polish<\/strong> J.Chem<\/strong>., 68, 473-479 (1994<\/strong>)<\/p>\n

13 <\/strong>S.J.Grabowski<\/strong>, p-Electrons as an Acceptor of Proton in H-bonds in the Structure of Acetylene, Polish J.Chem<\/strong>., 69, 223-228 (1995<\/strong>)<\/p>\n

14 <\/strong>S.J.Grabowski,<\/strong> A.Dubis, Intramolecular C-H..O Hydrogen Bonds in the Crystal Structure of Ethyl 3,4,5-Trimethoxybenzoate, Polish J.Chem<\/strong>., 69, 218- 222 (1995<\/strong>)<\/p>\n

15 <\/strong>S.J.Grabowski<\/strong>, Simulation of the Orthorombic Crystal Structure of Acetylene using Atom-Atom Potential Calculations, J.Chem.Res<\/strong>., 534-535 (1996<\/strong>)<\/p>\n

16 <\/strong>S.J.Grabowski<\/strong>, J.Wilamowski, D.Osman, J.Sepio\u0142, N.Rodier, Synthesis, Crystal\u00a0 Structure and Intramolecular Interactions of 2-Methyl-3-(2-methylphenyl)- but-1- ene – 1,1- dicarbonitrile (MMBC), Australian J.Chem<\/strong>., 49, 951-954 (1996<\/strong>)<\/p>\n

17 <\/strong>S.J.Grabowski<\/strong>, Analysis of C=O..H-O Systems in Neutron Diffraction Crystal Structures, Tetrahedron<\/strong>, 54, 10153-10160 (1998<\/strong>)<\/p>\n

18 <\/strong>S.J.Grabowski,<\/strong> T.M.Krygowski, Estimation of the Proton Position and the Energy of O-H..O Bridges in Crystals from X-ray Diffraction Data, Tetrahedron<\/strong>, 54, 5683-5694 (1998<\/strong>)<\/p>\n

19 <\/strong>T.M.Krygowski, S.J.Grabowski,<\/strong> J.Konarski, Water Molecules as a Gluing Factor\u00a0 in Organic Crystals, Tetrahedron<\/strong>, 54, 11311-11316 (1998<\/strong>)<\/p>\n

20 <\/strong>S.J.Grabowski,<\/strong> T.M.Krygowski, The Proton Transfer Path for C=O..H-O Systems Determined from Crystal Structure Data, Chem.Phys.Lett.<\/strong>, 305, 247-250 (1999<\/strong>)<\/p>\n

21 <\/strong>S.J.Grabowski<\/strong>, Study of Correlations for Dihydrogen Bonds by Quantum-Chemical Calculations, Chem.Phys.Lett.<\/strong>, 312, 542-547 (1999<\/strong>)<\/p>\n

22 <\/strong>T.M.Krygowski, B.Stepie\u0144, R.Anulewicz-Ostrowska, M.K.Cyra\u0144ski, S.J.Grabowski<\/strong>, Z.Rozwadowski, T.Dziembowska, Crystal and Molecular Structure of N-(3,5-Dichloro-2-Hydroxybenzylidene) and N-(2-Hydroxy-3-Metoxy-Benzylidene) Aniline Oxides. Delocalisation in the Spacer of the Intramolecular H-bond and the Problem of Quasi-Aromaticity, Collect.Czech.Chem.Commun<\/strong>., 64, 1797-1806 (1999<\/strong>)<\/p>\n

23 <\/strong>S.J.Grabowski<\/strong>, The Bond Valence Model in Analysing H-bonds of Crystal Structures, J.Mol.Struct<\/strong>., 552, 153-157 (2000<\/strong>)<\/p>\n

24 <\/strong>S.J.Grabowski<\/strong>, High Level Ab Initio<\/em> Calculations of Dihydrogen Bonded Complexes, J.Phys.Chem. A<\/strong>, 104, 5551-5557 (2000<\/strong>)<\/p>\n

25 <\/strong>S.J.Grabowski<\/strong>, BeH2<\/sub> as a Proton Accepting Molecule for Dihydrogen Bonded Systems \u2013 Ab Initio Study, J.Mol.Struct<\/strong>., 553, 151-156 (2000<\/strong>)<\/p>\n

26 <\/strong>S.J.Grabowski<\/strong>, T.M.Krygowski, B.St\u0119pie\u0144, The Reaction Pathway of the Proton Transfer from the Neutral to the Zwitterionic Forms of Amino Acids. A Support for a Water Molecule Mediated Mechanism, J.Phys.Org.Chem<\/strong>., 13, 740-744 (2000<\/strong>)<\/p>\n

27 <\/strong>T.M.Krygowski, E.Pindelska, M.K.Cyra\u0144ski, S.J.Grabowski<\/strong>, Angular Group InducedBond Alternation (AGIBA). Part 4: Does the Effect Operate in the Systems with Alternated Bonds ? Tetrahedron<\/strong>, 56, 8715-8719 (2000<\/strong>)<\/p>\n

28 <\/strong>S.J.Grabowski<\/strong>, Theoretical Evidence for a New Kind of Intramolecular Dihydrogen Bond, Chem. Phys. Lett.<\/strong>, 327, 203-208 (2000<\/strong>)<\/p>\n

29 <\/strong>S.J.Grabowski,<\/strong> M. Pogorzelska, The Existence of Extremely Short O-H Bonds within O-H…O Systems in Molecular Crystal Structures, J.Mol.Struct<\/strong>., 559, 201-207 (2001<\/strong>)<\/p>\n

30 <\/strong>A.T.Dubis, S.J.Grabowski<\/strong>, Infrared Spectroscopic and Theoretical Ab Initio Studies\u00a0 on Conformational Isomers of Methyl Pyrrole-2-Carboxylate, J.Mol.Struct<\/strong>., 562, 107-117 (2001<\/strong>)<\/p>\n

31 <\/strong>S.J.Grabowski<\/strong>, An Estimation of Strength of Intramolecular Hydrogen Bonds \u2013 Ab Initio and AIM Studies, J.Mol.Struct<\/strong>., 562, 137-143 (2001<\/strong>)<\/p>\n

32 <\/strong>S.Grabowski<\/strong>, R.Delaplane, I.Olovsson, Crystal and Molecular Structure of Phenazine \u2013 3,5-Dinitrobenzoic Acid Complex, C12<\/sub>H8<\/sub>N2<\/sub>.C7<\/sub>H4<\/sub>O6<\/sub>N2<\/sub>, J.Mol.Struct<\/strong>., 597, 67-71 (2001<\/strong>)<\/p>\n

33 <\/strong>T.M.Krygowski, E.Pindelska, R.Anulewicz-Ostrowska, S.J.Grabowski,<\/strong> A.T.Dubis, Angular group-induced bond alternation (AGIBA). Part 5 \u2013 Conformation dependence and additivity of the effect: structural studies of 3,5-dimethoxybenzaldehyde derivatives and related systems, J.Phys.Org.Chem<\/strong>., 14, 349-354 (2001<\/strong>)<\/p>\n

34 <\/strong>S.J.Grabowski<\/strong>, A new measure of hydrogen bonding strength \u2013 ab initio and atoms in molecules studies, Chem.Phys.Lett.,<\/strong> 338, 361-366 (2001<\/strong>)<\/p>\n

35 <\/strong>S.Scheiner, S.J.Grabowski,<\/strong> T.Kar, Influence of Hybridization and Substitution upon\u00a0 the Properties of the C-H…O Hydrogen Bond, J. Phys. Chem. A <\/strong>105, 10607-10612 (2001<\/strong>)<\/p>\n

36 <\/strong>S.J.Grabowski<\/strong>, Ab Initio Calculations on Conventional and Unconventional Hydrogen Bonds \u2013 Study of the Hydrogen Bond Strength, J. Phys. Chem. A <\/strong>105, 10739-10746 (2001<\/strong>)<\/p>\n

37 <\/strong>S.Wojtulewski, S.J.Grabowski<\/strong>, Unconventional F-H…p hydrogen bonds \u2013 ab initio and AIM study, J.Mol.Struct<\/strong>., 605, 235-240 (2002<\/strong>)<\/p>\n

38 <\/strong>A.T.Dubis, S.J.Grabowski<\/strong>, Vibrational Spectrum of Methyl Pyrrole-2-Carboxylate, Spectrochimica Acta Part A <\/strong>58, 213-215 (2002<\/strong>)<\/p>\n

39 <\/strong>T.M.Krygowski, S.J.Grabowski<\/strong>, R.Anulewicz-Ostrowska, J.Izdebski, D.Fiertek, An Empirical Estimation of the Interactions Hd<\/sup>+<\/sup>…Cl–<\/sup>. The Crystal and Molecular Structure of the 1-Methyl-2-tert-butylamino-4-isopropyl-5(4H)-imidazolone hydrochloride, Polish J<\/strong>. Chem<\/strong>. 76, 129-135 (2002<\/strong>)<\/p>\n

40 <\/strong>M.Wi\u015bniewska, S.J.Grabowski<\/strong>, Hydrogen Bonding Properties for the Complexes of Formaldehyde and Its Derivatives with Hydrogen Fluoride and Hydrogen Chloride, Monatshefte f\u00fcr Chemie, Chemical Monthly <\/strong>133, 305-312 (2002<\/strong>)<\/p>\n

41 <\/strong>A.Dubis, S.J.Grabowski<\/strong>, Spectroscopic and Theoretical Studies on Monomeric and Dimeric Forms of Methyl Pyrrole Carboxylate, New J. Chem<\/strong>. 26, 165-169 (2002<\/strong>)<\/p>\n

42 <\/strong>M.Palusiak, M.Ma\u0142ecka, S.J.Grabowski<\/strong>, J.Epsztajn, A.Bieniek, J.A.Kowalska, (3S,4R)-4-(2,5-Dimethoxyphenyl)-8-methoxy-isochroman-3-ol, Acta Cryst. <\/strong>E<\/strong>58, o620-o622 (2002<\/strong>)<\/p>\n

43 <\/strong>S.J.Grabowski<\/strong>, Ab initio and AIM studies on measures of hydrogen bonding strength \u2013 R-C\u00baN\u2026HF and R- C\u00baN\u2026HCl complexes, J.Mol.Struct. <\/strong>615, 239-245 (2002<\/strong>)<\/p>\n

44 <\/strong>S.J.Grabowski<\/strong>, Properties of a ring critical point as measures of intramolecular H-bond strength, Monatshefte f\u00fcr Chemie<\/strong>, Chemical Monthly <\/strong>133, 1373-1380 (2002<\/strong>)<\/p>\n

45 <\/strong>A.T.Dubis, S.J.Grabowski<\/strong>, D.B.Romanowska, T.Misiaszek, J.Leszczynski, Pyrrole-2-carboxylic acid and its dimers: molecular structures and vibrational spectrum, J.Phys.Chem. A<\/strong> 106, 10613-10621 (2002<\/strong>)<\/p>\n

46 <\/strong>A.J.Rybarczyk-Pirek, S.J.Grabowski<\/strong>, M.Ma\u0142ecka, J.Nawrot-Modranka, Crystal and molecular structures of new chromone derivatives as empirical evidence of intramolecular proton transfer reaction; ab initio studies on intramolecular H-bonds in enaminones, J.Phys. Chem. A<\/strong> 106, 11956-11962 (2002<\/strong>)<\/p>\n

47 <\/strong>M.Palusiak, S.J.Grabowski<\/strong>, Methoxy group as an acceptor of proton in hydrogen bonds, J.Mol.Struct<\/strong>. 642, 97-104 (2002<\/strong>)<\/p>\n

48 <\/strong>M.Palusiak, M.Ma\u0142ecka, S.J.Grabowski<\/strong>, J.Epsztajn, A.Bieniek, J.A.Kowalska, Methyl [5-methoxy-4-(3-methoxyphenyl)-isochroman-3-yl]acetate, Acta Cryst. E<\/strong>58, o1188-1189 (2002<\/strong>)<\/p>\n

49 <\/strong>A.J.Rybarczyk-Pirek, M.Ma\u0142ecka, S.J.Grabowski,<\/strong> J.Nawrot-Modranka, A benzopyran derivative substituted at position 3, Acta Cryst. <\/strong>C<\/strong>58, o405-406 (2002<\/strong>)<\/p>\n

50 <\/strong>M.Ma\u0142ecka, A.Rybarczyk-Pirek, S.J.Grabowski<\/strong>, K.Malinowska, J.Ochocki, 3,5-Dimethyl-2H<\/em>-pyrazol-1-ium diphenylphosphate, Acta Cryst.<\/strong>.E<\/strong>58, o1113-o1115 (2002)<\/strong><\/p>\n

51 <\/strong>S.Scheiner, S.J.Grabowski<\/strong>, Acetylene as potential hydrogen-bond proton acceptor, J.Mol.Struct. <\/strong>615, 209-218 (2002<\/strong>)<\/p>\n

52 <\/strong>S.J.Grabowski,<\/strong> T.M.Krygowski, Molecular geometry as a Source of Chemical Information \u2013 Applications of the Bond Valence \u2013 Bond Number Models, chapter in the book, Advances in Quantitative Structure Property Relationships, Vol.3, pages. 27-66, Elsevier Science B.V. Amsterdam 2002<\/strong><\/p>\n

53 <\/strong>S.Wojtulewski, S.J.Grabowski<\/strong>, DFT and AIM studies on two-ring resonance assisted hydrogen bonds, J.Mol.Struct. (Theochem)<\/strong>, 621, 285-191 (2003<\/strong>)<\/p>\n

54 <\/strong>S.Wojtulewski, S.J.Grabowski<\/strong>, Ab initio and AIM studies on intramolecular dihydrogen bonds, J.Mol.Struct<\/strong>. 645, 287-294 (2003)<\/strong><\/p>\n

55 <\/strong>S.Wojtulewski, S.J.Grabowski<\/strong>, Different donors and acceptors for intramolecular hydrogen bonds, Chem.Phys. Lett.<\/strong>, 378, 388-394 (2003<\/strong>)<\/p>\n

56 <\/strong>A.T.Dubis, S.J.Grabowski<\/strong>, Infrared, Density-Functional Theory, and Atoms in Molecules Studies on Conformers of Some 2-Substituted 1H-Pyrroles, J.Phys.Chem. A<\/strong>, 107, 8723-8729 (2003<\/strong>)<\/p>\n

57 <\/strong>A.J.Rybarczyk-Pirek, S.J.Grabowski,<\/strong> J.Nawrot-Modranka, Bifurcated Hydrogen Bonds in Crystal Structures of New Phosphorochromone Derivatives, J.Phys.Chem. A<\/strong>, 107, 9232-9239 (2003<\/strong>)<\/p>\n

58 <\/strong>M.Domaga\u0142a, S.J.Grabowski<\/strong>, K.Urbaniak, G.Mlosto\u0144, Role of C-H…S and C-H…N Hydrogen Bonds in Organic Crystal Structures \u2013 The Crystal and Molecular Structure of 3-Methyl-2,4-diphenyl-(1,3)-thiazolidine-5-spiro-2\u2019-adamantane and 3-Methyl-2,4,5,5-tetraphenyl-(1,3)-thiazolidine, J.Phys.Chem. A<\/strong>, 107, 2730-2736 (2003<\/strong>)<\/p>\n

59 <\/strong>S.J.Grabowski<\/strong>, p-Electron delocalisation for intramolecular resonance assisted hydrogen bonds, J.Phys.Org.Chem<\/strong>. 16, 797-802 (2003<\/strong>)<\/p>\n

60 <\/strong>L.Ch\u0119ci\u0144ska, S.J.Grabowski,<\/strong> M.Ma\u0142ecka, An analysis of bifurcated H-bonds: crystal and molecular structures of O,O-diphenyl 1-(3-phenylthioureido) pentanephosphonate and O,O-diphenyl 1-(3-phenylthioureido)butanephosphonate, J.Phys.Org.Chem<\/strong>. 16, 213-219 (2003<\/strong>)<\/p>\n

61 <\/strong>M.Palusiak, S.J.Grabowski<\/strong>, J.Epsztajn, J.A. Kowalska, 8-Methoxy-4-(4-methoxyphenyl) isochroman-3-ol, Acta Cryst. <\/strong>E<\/strong>59, o2000-o2002 (2003<\/strong>)<\/p>\n

62 <\/strong>S.J.Grabowski<\/strong>, Hydrogen bonding strength – measures based on geometric and topological parameters, <\/strong>J.Phys.Org.Chem<\/strong>. 17, 18-31 (2004<\/strong>)<\/p>\n

63 <\/strong>S.J.Grabowski<\/strong>, A.Pfitzner, M.Zabel, A.T.Dubis, M.Palusiak, Intramolecular H\u2026H Interactions for the Crystal Structures of [4-((E)-But-1-enyl)-2,6-dimethoxyphenyl] pyridine-3-carboxylate and [4-((E)-Pent-1-enyl)-2,6-dimethoxyphenyl]pyridine-3-carboxylate; DFT Calculations on Modeled Styrene Derivatives, J.Phys.Chem. B<\/strong>, 108, 1831-1837 (2004<\/strong>)<\/p>\n

64 <\/strong>M.Ma\u0142ecka, S.J.Grabowski,<\/strong> E.Budzisz, Crystal and molecular structures of 3-[1-(2- hydroxyethylamino)- ethylidene]- chroman-2,4-dione and 2-methoxy-3-[1-(benzylamino)-ethylidene]- 2,3-dihydro-2,4-dioxo-2\u03bb5<\/sup>-benzo[e][1,2] oxaphosphinane and DFT study of intramolecular H-bonds of related compounds, Chem. Physics<\/strong>, 297, 235-244 (2004<\/strong>)<\/p>\n

65 <\/strong>M.Domaga\u0142a, S.J.Grabowski<\/strong>, K.Urbaniak, G.Mlosto\u0144, Crystal and molecular structure of (r-2, c-4)-3-benzyl -2,4,5,5-tetraphenyl-1,3-thiazolidine, intramolecular C-H…S hydrogen bonds, J.Mol.Struct<\/strong>. 690, 69-75 (2004<\/strong>)<\/p>\n

66 <\/strong>M. Domaga\u0142a, M. Palusiak, A. Pfitzner, M. Zabel, K. Urbaniak, G. Mlosto\u0144, S.J.Grabowski<\/strong>, Dimethyl 3,4,5,5-tetraphenyl-1,3-thiazolidine-2,2-dicarboxylate and 3,3-dichloro-2,2,4,4,3\u2019-pentamethyl-r-2\u2019,t-4\u2019-diphenylcyclobutane-1-spiro-5\u2019-1,3-thiazolidine Acta Cryst<\/strong>. C<\/strong>60, o595-o599 (2004<\/strong>)<\/p>\n

67 <\/strong>S.J.Grabowski<\/strong>, T.L.Robinson, J.Leszczynski, Strong dihydrogen bonds \u2013 ab initio and \u2018atoms in molecules\u2019 study, Chem.Phys. Lett.<\/strong>, 386, 44-48 (2004<\/strong>)<\/p>\n

68 <\/strong>S.J.Grabowski<\/strong>, W.A.Sokalski, J.Leszczynski, Is a p…H\u00ad<\/sub>+<\/sup>…p Complex Hydrogen Bonded? J.Phys.Chem. A<\/strong>, 108, 1806-1812 (2004<\/strong>)<\/p>\n

69 <\/strong>M.Palusiak, S.J.Grabowski<\/strong>, O-H…H-C Systems – Intramolecular Contacts orIntramolecular Dihydrogen Bonds ? Ab Initio<\/em> and DFT Study for 1- Cyclopropyl Ethenol and Its Derivatives, J.Mol.Struct. (Theochem)<\/strong>, 674, 147-152, (2004<\/strong>)<\/p>\n

70 <\/strong>T.M.Krygowski, S.J.Grabowski<\/strong>,\u00a0 Where the Two Carbon Atoms Touch in the Triple Bond in Di-substituted Acetylenes; The AIM Analysis, Chem.Phys. Lett.<\/strong>, 389, 51-57 (2004<\/strong>)<\/p>\n

71 <\/strong>J.J.Szymczak, S<\/strong>.<\/strong>J.Grabowski<\/strong>, S.Roszak, J.Leszczynski, H\u2026s Interactions \u2013 an Ab Initio and \u201cAtoms in Molecules\u201d Study, Chem.Phys. Lett.<\/strong>, 393, 81-86 (2004<\/strong>)<\/p>\n

72 <\/strong>S.J.Grabowski, <\/strong>M.A.Walczak, T.M.Krygowski, The substituent effect in ethylenes and acetylenes \u2013 AIM analysis, Chem. Phys. Lett., <\/strong>400, 362-367 (2004)<\/strong><\/p>\n

73 <\/strong>S.J.Grabowski<\/strong>, A.T.Dubis, D.Martynowski,M.G\u0142\u00f3wka, M.Palusiak, J.Leszczynski, Crystal and Molecular Structure of Pyrrole-2-Carboxylic Acid; p-Electron Delocalization of its Dimers\u2013 DFT and MP2 Calculations, J.Phys.Chem. A<\/strong>, 108, 5815-5822 (2004<\/strong>)<\/p>\n

74 <\/strong>S.J.Grabowski<\/strong>, W.A.Sokalski, J.Leszczynski, The nature of X-H+<\/sup>d<\/sup> \u2026–<\/sup>d<\/sup>H-Y dihydroben bond and X-H\u2026s interactions, J.Phys.Chem. A<\/strong>, 108, 5823-5830 (2004<\/strong>)<\/p>\n

75 <\/strong>M. Palusiak, A. Pfitzner, M. Zabel, S.J.Grabowski,<\/strong> J.Epsztajn, J.A.Kowalska, Isochroman derivatives and their tendency to crystallize in chiral space group, Acta Cryst. C<\/strong>60, o239-o241 (2004<\/strong>)<\/p>\n

76 <\/strong>M.Palusiak, S.J.Grabowski<\/strong>, Characteristics of ring critical point as\u00a0 descriptors of H-bond strength \u2013 \u201catoms in molecules\u201d analysis of methoxybenzene complexes, J<\/strong>.Chem.Res<\/strong>. 492-493 (2004<\/strong>)<\/p>\n

77 <\/strong>P.Lipkowski, S.J.Grabowski<\/strong>,T.L.Robinson, J.Leszczynski, Properties of the C- H…H Dihydrogen Bond: Ab Initio and Topological Analysis, J.Phys.Chem. A<\/strong>, 108, 10865-10872 (2004<\/strong>)<\/p>\n

78 <\/strong>S.J.Grabowski,<\/strong> J.Leszczynski, Is a dihydrogen bond a unique phenomenon? Chapter in Vol.9, a book series “Computational Chemistry: Reviews of Current Trends”, World Scientific Publishing Co. 2005<\/strong><\/p>\n

79 <\/strong>S.J.Grabowski, <\/strong>Preface (as a guest editor of the issue no. 3), Structural Chemistry<\/strong>, Vol. 16, 2005<\/strong><\/p>\n

80 <\/strong>S.Wojtulewski, S.J.Grabowski<\/strong>, Blue-shifting C-H\u2026Y intramolecular hydrogen bonds \u2013 DFT and AIM analyses, Chem. Physics<\/strong>, 309, 183-188 (2005<\/strong>)<\/p>\n

81 <\/strong>M.Palusiak, I.Janowska, J.Zakrzewski, S.J.Grabowski<\/strong>, Charge assisted N—H…I and C—H…I hydrogen bonding in (1R,2S)-2-methoxymethyl-1-ferrocenylmethyl-pyrrolidinium iodide, Acta Cryst. C <\/strong>C61, m55-m57 (2005<\/strong>)<\/p>\n

82 <\/strong>M. Domaga\u0142a, M. Ma\u0142ecka, K. Urbaniak, G. Mlosto\u0144, S.J.Grabowski<\/strong>, Crystal Structure of two dimethyl 1,3-thiazolidinedicarboxylates obtained in thermal [2+3]cycloaddition of an azomethine ylide with 2,2,4,4-tetramethyl-3-thioxocyclobutanone, Structural Chemistry<\/strong>, 16, 55-59 (2005<\/strong>)<\/p>\n

83 <\/strong>L.Ch\u0119ci\u0144ska, S.J.Grabowski, <\/strong>Partial hydrogen bonds \u2013 structural studies on thioureidoalkylphosphonates, J.Phys. Chem. A <\/strong>109, 2942-2947 (2005)<\/strong><\/p>\n

84 <\/strong>S.J.Grabowski,<\/strong> W.A.Sokalski, J.Leszczynski, How short can the H\u2026H intermolecular contact be?\u00a0 New findings that reveal the covalent nature of extremely strong interactions, J.Phys.Chem. A <\/strong>109, 4331-4341 (2005)<\/strong><\/p>\n

85 <\/strong>R.Gora, S.J.Grabowski,<\/strong> J.Leszczynski, Unique features of the resonance assisted hydrogen bonds: ab initio study, J.Phys.Chem. A <\/strong>109, 6397-6405 (2005)<\/strong><\/p>\n

86 <\/strong>S.J.Grabowski<\/strong>, W.A.Sokalski, Different types of hydrogen bonds \u2013 correlation analysis for interaction energy components, J.Phys.Org.Chem. <\/strong>18, 779-784 (2005)<\/strong><\/p>\n

87 <\/strong>M.Domaga\u0142a, S.J.Grabowski, <\/strong>C-H\u2026N and C-H\u2026S Hydrogen Bonds \u2013 Influence of Hybridization on Their Strength, J.Phys.Chem. A<\/strong> 109, 5683-5688 (2005)<\/strong><\/p>\n

88 <\/strong>L.Sobczyk, S.J.Grabowski<\/strong>, T.M.Krygowski, Interrelation between H-Bond and Pi-Electron Delocalization, Chem.Rev<\/strong>. 105, 3513-3560 (2005<\/strong>)<\/p>\n

89 <\/strong>A.J.Rybarczyk-Pirek, A.T.Dubis, S.J.Grabowski<\/strong>, J.Nawrot-Modranka, Intramolecular hydrogen bonds in crystals of thiophosphorylbenzopyrane derivatives \u2013 X-ray and FT-IR studies, Chem. Physics,<\/strong> 320, 247-258 (2006<\/strong>)<\/p>\n

90 <\/strong>S.J.Grabowski<\/strong>, A.T.Dubis, M.Palusiak, J.Leszczynski, Heteronuclear Intermolecular Resonance-Assisted Hydrogen Bonds. The Structure of Pyrole-2-Carboxamide (PyCa), J.Phys.Chem. B<\/strong> 110, 5875-5882 (2006<\/strong>)<\/p>\n

91 <\/strong>S.J.Grabowski<\/strong>, W.A.Sokalski, E.Dyguda, J.Leszczynski, Quantitative Classification of Covalent and Noncovalent H-Bonds, J.Phys.Chem. B<\/strong> 110, 6444-6446 (2006<\/strong>)<\/p>\n

92 <\/strong>S.J.Grabowski<\/strong>, W.A.Sokalski, J.Leszczynski, The Possibile Covalent Nature of N-H\u2026O Hydrogen Bonds in Formamide Dimer and related Systems: An Ab Initio Study, J.Phys.Chem. A<\/strong> 110, 4772-4779 (2006<\/strong>)<\/p>\n

93 <\/strong>S.J.Grabowski<\/strong>, W.A.Sokalski, J.Leszczynski, Hydride bonding \u2013 Ab initio studies of BeH2<\/sub>\u2026Li+<\/sup>, BeH2<\/sub>\u2026Na+<\/sup> and BeH2<\/sub>\u2026Mg2+<\/sup> model systems, <\/strong>Chem.Phys.Lett.<\/strong>, 422, 334-339 (<\/strong>2006<\/strong>)<\/strong><\/p>\n

94 <\/strong>M.Zi\u00f3\u0142kowski, S.J.Grabowski<\/strong>, J.Leszczynski, Cooperativity in Hydrogen-Bonded Interactions: Ab Initio and \u201dAtoms in Molecules\u201d Analyses, J.Phys.Chem. A,<\/strong> 110, 6514-6521 (2006<\/strong>)<\/p>\n

95 <\/strong>L.Ch\u0119ci\u0144ska, S.J.Grabowski<\/strong>, F-H…F-C hydrogen bonds – the influence of hybridization of carbon atom connected with F-acceptor on their properties, Chem. Physics,<\/strong> 327, 202-208 (2006<\/strong>)<\/p>\n

96 <\/strong>S.J.Grabowski<\/strong>, A.J.Sadlej, W.A.Sokalski, J.Leszczynski, Attractive halogen-halogen interactions: CF3<\/sub>Cl\u2026FH and CF3<\/sub>Cl\u2026FCH3<\/sub> dimers, Chem.Physics,<\/strong> 327, 151-158 (2006<\/strong>)<\/p>\n

97 <\/strong>M. Palusiak B. Rudolf, J. Zakrzewski, A. Pfitzner, M. Zabel, S.J. Grabowski<\/strong>, Influence of intramolecular carbonyl\u2026carbonyl interactions on reactivity of W, Mo and Fe complexes containing h1<\/sup>–N<\/em>-maleimidato ligand. X-ray, DFT and AIM studies, J.Organomet.Chem<\/strong>. 691, 3232-3238 (2006<\/strong>)<\/p>\n

98 <\/strong>J.J.Szymczak, R.W.Gora, S.Roszak, D.Majumdar, J.Wang, S.J.Grabowski<\/strong>, J.Leszczynski, Proton Bound Open Shell Systems \u2013 Theoretical Studies on O2<\/sub>H+<\/sup>(O2<\/sub>)n<\/sub> (n=1-6) Complexes, Molecular Physics<\/strong>, 104, 2327-2336 (2006<\/strong>)<\/p>\n

99 <\/strong>S.J.Grabowski<\/strong>, Theoretical Studies of Strong Hydrogen Bonds, chapter<\/strong> in: Annual Rep. Prog. Chem., Sec. C, Royal Chemical Society, 102, 1-37 (2006<\/strong>)<\/p>\n

100<\/strong> S.J.Grabowski, <\/strong>J.Leszczynski, Unrevealing the Nature of Hydrogen Bonds: p-electron delocalization shapes H-bond features, chapter<\/strong> in: Hydrogen Bonding \u2013 New Insights, Edited by S\u0142awomir J. Grabowski, Kluwer Academic Publishers, 2006<\/strong>.<\/p>\n

101<\/strong> S.J.Grabowski<\/strong>, Interrelations Between Energetic and QTAIM Topological Parameters \u2013 Comparison of Different Kinds of Hydrogen Bonds, chapter<\/strong> in the book: Quantum Theory of Atoms in Molecules: Recent Progress in Theory and Application, Edited by Cherif.Matta and Russell J.Boyd, Wiley-VCH, 2007<\/strong><\/p>\n

102<\/strong> S.J.Grabowski<\/strong>, E.Bilewicz, Cooperativity Halogen Bonding Effect – Ab Initio Calculations on H2<\/sub>CO\u2026(ClF)n<\/sub> Complexes, Chem.Phys.Lett.<\/strong> 427, 51-55 (2006<\/strong>)<\/strong><\/p>\n

103<\/strong> E.Bilewicz, A.J.Rybarczyk-Pirek, A.T.Dubis, S.J.Grabowski<\/strong>, Halogen Bonding in Crystal Structure of 1-Methylpyrrol-2-yl Trichloromethyl Ketone, J.Mol.Struct. <\/strong>829\u00a0 208-211 (2007<\/strong>)<\/p>\n

104<\/strong> P.Lipkowski, S.J.Grabowski<\/strong>, J.Leszczynski, Properties of the Halogen-Hydride Interaction: An Ab Initio and \u201cAtoms in Molecules\u201d Analysis, J.Phys.Chem. A<\/strong>, 110, 10296-10302 (2006<\/strong>)<\/p>\n

105<\/strong> S.J.Grabowski<\/strong>, W.A.Sokalski, J.Leszczynski, Can H\u2026s, p\u2026H+<\/sup>\u2026s and s\u2026H+<\/sup>..s interactions be classified as H-bonded?, Chem.Phys.Lett.<\/strong>, 432, 33-39 (2006<\/strong>)<\/strong><\/p>\n

106<\/strong> S.J.Grabowski<\/strong>, M.Ma\u0142ecka, Intramolecular H-bonds: DFT and QTAIM Studies on 3-(Aminomethylene)pyran-2,4-dione and Its Derivatives, J.Phys.Chem. A<\/strong>, 110, 11847-11854 (2006<\/strong>)<\/p>\n

107<\/strong> S.J.Grabowski<\/strong>, N-H\u2026O Intramolecular Hydrogen Bonds \u2013 the Influence of External Agents on p-Electron Delocalization, J.Mol.Struct. (Theochem)<\/strong>, 811, 61-67 (2007<\/strong>)<\/p>\n

108<\/strong> S.J.Grabowski, <\/strong>Covalent character of three-center, two-electron systems \u2013 C2<\/sub>H3<\/sub>+<\/sup> and C2<\/sub>H5<\/sub>+<\/sup>, Chem.Phys.Lett.<\/strong>, 436, 63-67 (2007<\/strong>)<\/strong><\/p>\n

109<\/strong> S.J.Grabowski<\/strong>, Hydrogen bonds with p and s electrons as the multicenter proton acceptors \u2013 high level ab initio calculations, J.Phys.Chem. A<\/strong>, 111, 3387-3393 (2007<\/strong>)<\/p>\n

110<\/strong> S.J.Grabowski<\/strong>, Intramolecular O-H\u2026O Hydrogen Bonds \u2013 the Influence of External Agents on Their Properties, Polish J. Chem. <\/strong>81, 799-811 (2007<\/strong>)<\/p>\n

111<\/strong> S.J.Grabowski<\/strong>, Preface, Polish J. Chem. <\/strong>81, 607-611 (2007<\/strong>)<\/p>\n

112<\/strong> S.J.Grabowski<\/strong>, W.A. Sokalski, J.Leszczynski, Wide spectrum of H…H interactions: van der Waals contacts, dihydrogen bonds and covalency, Chem.Phys. <\/strong>337, 68-76 (2007)<\/strong><\/p>\n

113<\/strong> S.J.Grabowski, M.Palusiak, A.T.Dubis, A.Pfitzner, M.Zabel, Inter and Intramolecular Hydrogen Bonds – Structures of N-methyl pyrrole-2-carboxamide and N-hydroxy pyrrole-2-carboxamide, J.Mol.Struct. <\/strong>844-845, 173-180 (2007)<\/strong><\/p>\n

114<\/strong> M.Palusiak, S.J.Grabowski, <\/strong>Do intramolecular halogen bonds exist ? \u2013 ab initio calculations and crystal structures\u2019 evidences, Struct.Chem. <\/strong>accepted (December 2007 issue)<\/p>\n

115<\/strong> S.J.Grabowski, <\/strong>M.Palusiak, Preface, Struct.Chem. <\/strong>accepted (December 2007 issue)<\/p>\n

116<\/strong> S.J.Grabowski<\/strong>, p-H\u2026O Hydrogen Bonds: Multicenter Covalent p-H Interaction Acts as the Proton-Donating System, J.Phys.Chem. A,<\/strong> 111, 13537-13543 (2007<\/strong>)<\/p>\n

117<\/strong> E.Bilewicz, M.Ma\u0142ecka, S.J.Grabowski<\/strong>, G.Mlosto\u0144, 2\u2019-(4-Chlorophenyl)-
\n2,3,4,5,6,7-hexahydro-4\u2019,7\u2019-methanospiro[9H-fluorene-9,3\u2019-1H-indazole]-1\u2019-carbonitrile and methyl 4\u2019-chloro-2\u2019-(4-chlorophenyl)-1\u2019-cyanospiro[9H-fluorene-9,3\u2019-pyrazolidine]-4\u2019-carboxylate, Acta Cryst. C<\/strong>, C63, o739-o742 (2007<\/strong>)<\/p>\n

118<\/strong> R.Prajapati, L.Mishra, S.J.Grabowski, <\/strong>G.Govil, S.K.Dubey, Supramolecular Architectures constructed through self-assembly of a chalcone and substituted diazo-\u03b2-diketones, J.Mol.Struct. <\/strong>879, 1-6 (2008<\/strong>)<\/p>\n

119<\/strong> I.Alkorta, J.Elguero, S.J.Grabowski<\/strong>, How to determine whether intramolecular H\u2026H interactions can be classified as dihydrogen bonds, J.Phys.Chem. A<\/strong> 112, 2721-2727 (2008<\/strong>)<\/p>\n

120<\/strong> S.J.Grabowski<\/strong>, Hydrogen bonds assisted by p-electron delocalization – the influence of external intermolecular interactions on dimer of formic acid, J.Phys.Org.Chem.<\/strong> 21, 694-702 (2008<\/strong>)<\/p>\n

121<\/strong> S.J.Grabowski<\/strong>, J.Leszczynski, Dihydrogen Bonds: Novel Feature of Hydrogen Bond Interactions, chapter 12 in Practical Aspects of Computational Chemistry, Methods, Concepts and Applications, J.Leszczynski and M.Shukla eds. Springer 2009<\/strong>.<\/p>\n

122<\/strong> S.Wojtulewski, G.\u015awiderski, S.J.Grabowski<\/strong>, Intramolecular hydrogen bonds in 2-iminoacetic acid and its derivatives \u2013 DFT calculations and \u2018Atoms in Molecules\u2019 analysis, J.Mol.Struct. (Theochem)<\/strong> 905, 34-39 (2009<\/strong>)<\/p>\n

123<\/strong> S.J.Grabowski<\/strong>, T.M.Krygowski, J.Leszczynski, An Analysis of Substituent Effects in Ethane Derivatives: The Quantum Theory of Atoms in Molecules Approach, J.Phys.Chem. A<\/strong> 113, 1105-1110 (2009<\/strong>)<\/p>\n

124<\/strong> S.J.Grabowski<\/strong>, Covalent Character of Hydrogen Bonds Enhanced by \u03c0-Electron Delocalization, Croat.Chem.Acta<\/strong> 82, 185-192 (2009<\/strong>)<\/p>\n

125<\/strong> S.J.Grabowski<\/strong>, J.Leszczynski, The enhancement of X-H\u2026\u03c0 hydrogen bond by cooperativity effects \u2013 Ab initio and QTAIM calculations, Chem. Phys<\/strong>.\u00a0 355, 169-176 (2009<\/strong>)<\/p>\n

126<\/strong> M.Domaga\u0142a, S.J.Grabowski<\/strong>, X-H\u2026\u03c0 and X-H\u2026N hydrogen bonds \u2013 Acetylene and hydrogen cyanide as proton acceptors, Chem. Phys<\/strong>.\u00a0 363, 42-48 (2009<\/strong>)<\/p>\n

127<\/strong> M.Domaga\u0142a, S.J.Grabowski<\/strong>, Hydrocarbons as proton donors in C-H\u2026N and C-H\u2026S hydrogen bonds, Chem. Phys<\/strong>. 367, 1-6 (2010<\/strong>)<\/p>\n

128<\/strong> B.Bankiewicz, S.Wojtulewski, S.J.Grabowski<\/strong>, Intramolecular Double Proton Transfer from 2-Hydroxy-2-iminoacetic Acid to 2-Amino-2-oxoacetic Acid, J.Org.Chem<\/strong>. 75, 1419-1426 (2010<\/strong>)<\/p>\n

129<\/strong> A.T.Dubis, M.Domaga\u0142a, S.J.Grabowski<\/strong>, Spectroscopic and theoretical studies on some new pyrrol-2-yl-chloromethyl ketones, New J.Chem<\/strong>. 34, 556-566 (2010<\/strong>)<\/p>\n

130<\/strong> S.J.Grabowski<\/strong>, J.M.Ugalde, High-level ab initio calculations on low barrier hydrogen bonds and proton bound homodimers, Chem. Phys<\/strong>. Lett.<\/strong> 493, 37-44 (2010<\/strong>)<\/p>\n

131<\/strong> S.J.Grabowski<\/strong>, J.M.Ugalde, Bond Paths Show Preferable Interactions: Ab Initio and QTAIM Studies on the X-H\u2026\u03c0 Hydrogen Bond, J.Phys.Chem. A <\/strong>114, 7223-7229 (2010<\/strong>)<\/p>\n

132<\/strong> S.J.Grabowski<\/strong>, J.M.Ugalde, Ab initio calculations on C6<\/sub>H6<\/sub>\u2026(HF)n<\/sub> clusters \u2013 X-H\u2026\u03c0 hydrogen bond, Can.J.Chem. <\/strong>88, 769-778 (2010<\/strong>)<\/p>\n","protected":false},"excerpt":{"rendered":"

Ikerbasque Research Professor<\/p>\n","protected":false},"author":6,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[78],"tags":[],"class_list":["post-498","post","type-post","status-publish","format-standard","hentry","category-5_kt-seminars"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/498","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/6"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=498"}],"version-history":[{"count":27,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/498\/revisions"}],"predecessor-version":[{"id":11566,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/498\/revisions\/11566"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=498"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=498"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=498"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}