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Tribute to Pavel Hobza
It is with distinct pleasure that I pay tribute to my friend Pavel Hobza, fellow scientist and colleague, and honor him on the special occasion of his 65th birthday. Having been a young man of 65 myself a “few” years ago, I am fully aware of its significance. But recalling that this young enthusiast of science came to work in my group as a Ph.D. student when he was only 21 and has so “rapidly” turned 65, is, frankly speaking, somewhat disgusting. Luckily, his enthusiasm has never waned in the interim, and, with his associates, he has published 400 papers and three books, and, incredibly, his works have been quoted more than 18,000 times! It could, therefore, easily take hundreds of pages to describe his work and his achievements, so my few pages can hardly do full justice. But I will give it a try. Pavel completed his M.Sc. in chemistry at the Faculty of Technical and Nuclear Physics, Czech Technical University in Prague, in 1969. When Pavel began his Ph.D. studies at the same Faculty, his interest in quantum theories of molecules was not in sync with the study program of this Faculty; therefore, it was recommended to him to continue his studies with the Group of Applied Quantum Chemistry at the Institute of Physical Chemistry of the Czechoslovak Academy of Sciences in Prague. Already during our first meeting, I suggested that he move to my group to continue with his Ph.D. The era when Pavel did his Ph.D. studies (1969 1973) was a good time for applied quantum chemistry. The epoque of the H€uckel molecular orbital (HMO) method was nearly over then. The ab initio approach was still rather exclusive, but it was already relatively easy to explicitly consider electron repulsion within the framework of an increasing number of semiempirical procedures. Importantly, problems solved and structural types studied were no longer strictly dictated by the nature of computational tools r 2011 American Chemical Society
and the level of the hardware efficiency as it was during the HMO times. Molecular spectroscopy and chemical reactivity belonged to traditional realms of our interests. Chemists routinely investigated reactivity in solutions or at surfaces of solids. We, as many others, were aware of the unsatisfactory situation concerning calculations (or at least reliable estimates) of solvation energies. We soon realized that without the ability to satisfactorily treat “nonchemical” interactions between molecules (in contrast to covalent interactions), little progress in the subject could be expected. In particular, we felt that weak intermolecular interactions (i.e., van der Waals interactions, or, in short, vdW) will play a significant role in chemistry and in biodisciplines. These interactions have been Pavel’s principal focus throughout his career as a quantum chemist. A researcher interested in a broad range of vdW interactions in small, medium-sized, and extended systems must necessarily master a broad spectrum of computational tools. This includes procedures ranging from highly correlated quantum chemistry methods to well-balanced empirical potentials. Variational and perturbational calculations have been performed for years in order to obtain deeper insight into the role of individual energy contributions, and the role of the dispersion energy term can hardly be overstated. Pavel and his collaborators realized its importance and made a great effort to evaluate the reliability of methods for description of dispersion energy terms. Altogether, hundreds of species and systems were investigated ranging from dimers of rare-gas atoms and clusters of the hydrogen molecules, via dimers of hydrocarbons (e.g., acetylene and benzene), to complexes of nucleic acid bases forming up to about 10 unique dinucleotide steps in RNA and DNA duplexes. In this connection, I need to point out that Pavel, together with Zdenek Havlas, discovered and interpreted a new type of hydrogen bond, the so-called blue-shifting hydrogen bond—an important and exciting breakthrough. Together with his associates, he also contributed significantly to the understanding of the role of stacking interactions, which are particularly important between bases of nucleic acids. Among additional topics pursued by Pavel, let me single out his research on van der Waals (or noncovalent) complexes, in combination with ZEKE spectroscopy developed by Klaus M€uller-Dethlefs. A good deal of information on the achievements of Pavel’s group is easily accessible in several books of his, as well as in articles published in Chemical Reviews. Our jubilant is the Head of the Research Center for Biomolecules and Complex Molecular Systems at the Institute of Organic Chemistry and Biochemistry of the Academy of Sciences of the Czech Republic. He is also professor of physical chemistry at the Charles University, Prague, and Palacky University, Olomouc. He also went through a series of visiting professorships Special Issue: Pavel Hobza Festschrift Published: October 13, 2011 11113
dx.doi.org/10.1021/jp208268e | J. Phys. Chem. A 2011, 115, 11113–11114
The Journal of Physical Chemistry A
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in Europe, Canada, and Korea, being appointed World Class University Professor at Pohang University of Science and Technology recently. Of the numerous awards that Pavel has received, at least some should be mentioned specifically. He was elected a member of the Czech Learned Society and of the European Academy of Arts, Sciences and Humanities. He is a Fellow of the Royal Society of Chemistry and of the Photon Science Institute at the University of Manchester and holds the Distinguished Chair at the Institute of Organic Chemistry and Biochemistry in Prague. Pavel’s laboratory is open for visitors coming from various parts of the world. He also accepts numerous invitations to present lectures or to spend a study stay abroad at distinguished centers of theoretical chemistry. From time to time he enjoys chatting with friends and colleagues over a glass of Moravian wine. This should not be interpreted, however, as a manifestation of nationalism because, when abroad, he does not refuse a glass of fine Italian, French, or Californian wine. I also know Pavel as a person deeply devoted to his family. With Pavla, his wife, they are parents of two and grandparents of three. It is also a wellknown fact that Pavel loves fishing, not for compliments, but for trout in brooks with clear water. This is his only sporting interest I am aware of. In closing, I wish Pavel continued joy with his family, sustained enthusiasm in his research group, and from time to time a good catch and a bottle of excellent Moravian wine. Many happy returns! Rudolf Zahradník
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