Dreta i esquerra: les molècules quirals

Molècules de dretes i d'esquerres? Una història científica amb contribució de la UdG: investigadors de l'Institut de Química Computacional de la UdG van participar en una recerca que amb posterioritat va ser premiada amb el Nobel de química del 2001

Comunicació científica, versió 2.0

Breu explicació de la Nit de la Recerca i la II Fira de Mostres de Recerca, dues activitats dins el concepte de comunicació científica 2.0 organitzades per la UdG durant el 2007

Laquímica.net, una proposta per millorar la relació entre universitat i la secundària

Sota el lema "Química entre nosaltres: descobrim la química a Girona", el projecte LaQuimica.Net iniciat l’any 2004 vol promoure la divulgació de la química en l'entorn geogràfic de la UdG, estimular l'estudi i la recerca en química en l'àmbit de secundària, i fomentar la incorporació dels estudiants de secundària a l'ensenyament superior. En aquest marc, en els darrers anys, el departament de química de la Universitat de Girona ve desenvolupant tota una sèrie d'activitats adreçades tant a estudiants de secundària com al públic en general. Pel que fa als estudiants de secundària, s’ofereixen un conjunt d’activitats entre les que cal destacar “El Dissabte de la Química”, el “[Nano]reacciona!” i les pràctiques ofertes a grupsclasse. “El Dissabte de la Química” consta d’una conferència d’uns 30-40 minuts seguida de 4 tallers on els estudiants poden practicar diferents aspectes de la química. Amb “[Nano]reacciona!” els estudiants de secundària presenten els seus treballs de recerca relacionats amb la química mitjançant un pòster que confeccionen ells mateixos. Finalment, a les pràctiques de grups-classe els estudiants d’un determinat curs de secundària fan una pràctica completa en un dels laboratoris de docència del nostre departament. Pel que fa als professors de secundària s’organitza el “Congrés de Docència en Química a Secundària”, en el que participen una sèrie d’experts en el tema de la didàctica de la química o de les ciències en general i on els professors de secundària podem fer una comunicació curta amb alguna de les seves experiències personals a l’aula. Finalment, pel que fa al públic en general, durant la Setmana de la Ciència s’organitza “La Fira de la Química”, una activitat que pretén donar a conèixer alguns aspectes d’aquesta ciència, així com també mostrar com ens influeix la química en la nostra vida diària

Enhancing learning beyond the classroom: blogging and other social networking tools

Blogging has become one of the key ingredients of the so-called socials networks. This phenomenon has indeed invaded the world of education. Connections between people, comments on each other posts, and assessment of innovation are usually interesting characteristics of blogs related to students and scholars. Blogs have become a kind of new form of authority, bringing about (divergent) discussions which lead to creation of knowledge. The use of blogs as an innovative, educational tool is not at all new. However, their use in universities is not very widespread yet. Blogging for personal affairs is rather commonplace, but blogging for professional affairs – teaching, research and service, is scarce, despite the availability of ready-to-use, free tools. Unfortunately, Information Society has not reached yet enough some universities: not only are (student) blogs scarcely used as an educational tool, but it is quite rare to find a blog written by University professors. The Institute of Computational Chemistry of the University of Girona and the Department of Chemistry of the Universitat Autònoma de Barcelona has joined forces to create “InnoCiència”, a new Group on Digital Science Communitation. This group, formed by ca. ten researchers, has promoted the use of blogs, twitters. wikis and other tools of Web 2.0 in activities in Catalonia concerning the dissemination of Science, like Science Week, Open Day or Researchers’ Night. Likewise, its members promote use of social networking tools in chemistry- and communication-related courses. This communication explains the outcome of social-network experiences with teaching undergraduate students and organizing research communication events. We provide live, hands-on examples and interactive ground to show how blogs and twitters can be used to enhance the yield of teaching and research. Impact of blogging and other social networking tools on the outcome of the learning process is very depending on the target audience and the environmental conditions. A few examples are provided and some proposals to use these techniques efficiently to help students are hinted

Public and student awareness science: recreational science as a catalyst

When discussing the traditional and new missions of higher education (1996 Report to UNESCO of the International Commission on Education for the 21st Century) Jacques Delors stated that "Excessive attraction to social sciences has broken equilibrium of available graduates for workforce, thus causing doubts of graduates and employers on the quality of knowledge provided by higher education". Likewise, when discussing the progress of science and technology, the 1998 UNESCO World Conference on Higher Education concluded that "Another challenge concerts the latest advancements of Science, the sine qua non of sustainable development"; and that “with Information Technology, the unavoidable invasion of virtual reality has increased the distance between industrial and developing countries". Recreational Science has a long tradition all over the Educational World; it aims to show the basic aspects of Science, aims to entertain, and aims to induce thinking. Until a few years ago, this field of knowledge consisted of a few books, a few kits and other classical (yet innovative) ways to popularize the knowledge of Nature and the laws governing it. In Spain, the interest for recreational science has increased in the last years. First, new recreational books are being published and found in bookstores. Second the number of Science-related museums and exhibits is increasing. And third, new television shows are produced and new short science-based, superficial sketches are found in variety programs. However, actual programs in Spanish television dealing seriously with Science are scarce. Recreational Science, especially that related to physical phenomena like light or motion, is generally found at Science Museums because special equipment is required. On the contrary, Science related mathematics, quizzes and puzzles use to gather into books, e.g. the extensive collections by Martin Gardner. However, lately Science podcasts have entered the field of science communication. Not only traditional science journals and television channels are providing audio and video podcasts, but new websites deal exclusively with science podcasts, in particular on Recreational Science. In this communication we discuss the above mentioned trends and show our experience in the last two years in participating at Science Fairs and university-sponsored events to attract students to science and technology careers. We show a combination of real examples (e.g., mathemagic), imagination, use of information technology, and use of social networks. We present as well an experience on designing a computational, interactive tool to promote chemistry among high school, prospective students using computers ("Dancing with Bionanomolecules"). Like the concepts related to Web 2.0, it has been already proposed that a new framework for communication of science is emerging, i.e., Science Communication 2.0, where people and institutions develop new innovative ways to explain science topics to diverse publics – and where Recreational Science is likely to play a leading role

Una Universitat investigadora a Europa

El Pla estratègic de la Universitat de Girona 2008-2013, aprovat el maig del 2008, és el full de ruta que la UdG ha obtingut del navegador universitari que fa servir diversos satèl·lits, com són el nou marc del procés de Bolonya i les diferents estratègies marcades per les administracions relacionades amb l’educació superior, com el Pacte nacional per a la recerca i la innovació, el Llibre blanc de l’ACUP o l’Estratègia Universitat 2015

Discurs de presentació del professor Joan Bertran Rusca, a càrrec del Dr. Miquel Duran

Discurs pronunciat pel Dr. Miquel Duran per presentar el Dr. Joan Bertran Rusca, un dels doctors investits com honoris causa el dia 21 d'octubre de 2004, a la Universitat de Girona. En aquesta breu presentació fa un repàs per la vida professional del prof. Bertran

L'hospital de Santa Caterina de Girona: un model de racionalització de la caritat (de mitjan segle XIV al segle XV)

Es presenta el dibuix d’un centre assistencial que ha crescut i canviat amb la seva ciutat: ahir a la vora de l’Onyar, avui a tocar de la Gran Via i demà a Salt, l’hospital encara es mostra lligat a les necessitats socials d’aquells qui li donen raó de ser, els ciutadans

Doctor honoris causa [2004]

Parlaments de la cerimònia d’investidura llegits el dia 21 d’octubre de 2004 a l’Aula Magna de la Universitat de Girona

És possible una Universitat 2.0?

Conferència emmarcada dins el 2on Workshop Biblioteca UdG: La Universitat de Girona davant els reptes del nou Espai Europeu d'Educació Superior, on es reflexiona sobre el concepte d’Universitat 2.0. El conferenciant proporciona diferents claus del que entén que hauria de ser una Universitat 2.0, i les possibilitats que ofereix aquest concepte per a la Universitat de Girona

Localització de les zones òptimes del litoral català per la instal•lació d’un parc eòlic marí

Anàlisi territorial del litoral català mitjançant una sèrie de variables tractades amb sistemes d’informació geogràfica (recurs eòlic, perfil batimètric, zones incloses en Xarxa Natura 2000, subestacions elèctriques vora la costa) per tal de localitzar les zones òptimes d’implantació d’un parc eòlic marí

La Recerca com a eina permeabilitzadora de la interfase universitat-ensenyament secundari

Una forma de millorar la docència universitària, sobretot en els seus primers cursos, pot venir per la millora de les condicions amb les quals els estudiants accedeixen als estudis universitaris i pel millor coneixement, per part l'entorn universitari, del que s'imparteix a secundària. O en altres paraules, perquè els estudiants sàpiguen allò què els espera en un futur, i els professors sàpiguen què poden demanar als nous estudiants. En el cas particular dels estudis científics, per exemple, l'estímul en el seu procés d'aprenentatge ve causat en particular per la motivació dels estudiants ja universitaris més joves, el coneixement previ que tenen els estudiants preuniversitaris dels laboratoris o de les aules, i la percepció del dinamisme dels grups de recerca

Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers

Restricted Hartree-Fock 6-31G calculations of electrical and mechanical anharmonicity contributions to the longitudinal vibrational second hyperpolarizability have been carried out for eight homologous series of conjugated oligomers - polyacetylene, polyyne, polydiacetylene, polybutatriene, polycumulene, polysilane, polymethineimine, and polypyrrole. To draw conclusions about the limiting infinite polymer behavior, chains containing up to 12 heavy atoms along the conjugated backbone were considered. In general, the vibrational hyperpolarizabilities are substantial in comparison with their static electronic counterparts for the dc-Kerr and degenerate four-wave mixing processes (as well as for static fields) but not for electric field-induced second harmonic generation or third harmonic generation. Anharmonicity terms due to nuclear relaxation are important for the dc-Kerr effect (and for the static hyperpolarizability) in the σ-conjugated polymer, polysilane, as well as the nonplanar π systems polymethineimine and polypyrrole. Restricting polypyrrole to be planar, as it is in the crystal phase, causes these anharmonic terms to become negligible. When the same restriction is applied to polymethineimine the effect is reduced but remains quantitatively significant due to the first-order contribution. We conclude that anharmonicity associated with nuclear relaxation can be ignored, for semiquantitative purposes, in planar π-conjugated polymers. The role of zero-point vibrational averaging remains to be evaluated

Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes

Møller-Plesset (MP2) and Becke-3-Lee-Yang-Parr (B3LYP) calculations have been used to compare the geometrical parameters, hydrogen-bonding properties, vibrational frequencies and relative energies for several X- and X+ hydrogen peroxide complexes. The geometries and interaction energies were corrected for the basis set superposition error (BSSE) in all the complexes (1-5), using the full counterpoise method, yielding small BSSE values for the 6-311 + G(3df,2p) basis set used. The interaction energies calculated ranged from medium to strong hydrogen-bonding systems (1-3) and strong electrostatic interactions (4 and 5). The molecular interactions have been characterized using the atoms in molecules theory (AIM), and by the analysis of the vibrational frequencies. The minima on the BSSE-counterpoise corrected potential-energy surface (PES) have been determined as described by S. Simón, M. Duran, and J. J. Dannenberg, and the results were compared with the uncorrected PES

The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions

The contributions of the correlated and uncorrelated components of the electron-pair density to atomic and molecular intracule I(r) and extracule E(R) densities and its Laplacian functions ∇2I(r) and ∇2E(R) are analyzed at the Hartree-Fock (HF) and configuration interaction (CI) levels of theory. The topologies of the uncorrelated components of these functions can be rationalized in terms of the corresponding one-electron densities. In contrast, by analyzing the correlated components of I(r) and E(R), namely, IC(r) and EC(R), the effect of electron Fermi and Coulomb correlation can be assessed at the HF and CI levels of theory. Moreover, the contribution of Coulomb correlation can be isolated by means of difference maps between IC(r) and EC(R) distributions calculated at the two levels of theory. As application examples, the He, Ne, and Ar atomic series, the C2-2, N2, O2+2 molecular series, and the C2H4 molecule have been investigated. For these atoms and molecules, it is found that Fermi correlation accounts for the main characteristics of IC(r) and EC(R), with Coulomb correlation increasing slightly the locality of these functions at the CI level of theory. Furthermore, IC(r), EC(R), and the associated Laplacian functions, reveal the short-ranged nature and high isotropy of Fermi and Coulomb correlation in atoms and molecules