Bibliography

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ABOUT BIBLIOGRAPHY

Things have turn slightly more complicated lately and the options on January 2018 are:

1.- To use ISI web of knowledge,Connect to Web of knowledge page and there in acces need to connect through the Spanish "Ministerio de Ciencia e Innovación". Use the web page:

http://www.accesowok.fecyt.es/login/ 

from any computer in ICIQ. If you want to use it from home you will need to use the ICIQ's proxy, please look at the Connecting from Outside section.

2.- To use Scopus, use the link https://www-scopus-com.sabidi.urv.cat/search/form.uri?display=basic If you have not added the sabidi credentials (see below) it will ask for them.

3.- The SciFinder Scholar, is not available any-more from the Terminal Server, Guest's computer or any other ICIQ's windows computer. The use is restricted to the web interface

https://origin-scifinder.cas.org/scifinder/login

To use it, you will need to create yourselves an account through the ICIQ's intranet. To do so: 1) enter to the intranet (you will need your ICIQ's intranet user and password, please check Intranet) 2) Look for "Management", inside this "IT", and there "Scifinder registration". Introduce your data and that's all!

All paper searchers are very useful, fast and reliable. Maybe the main advantage of the third is that you can draw compounds, and it searches molecules/reactions containing the molecule you have drawn. The data bases were they search are of course different.

SABIDI

It is the URV (Tarragona's uni) system to access the digital Library, your credentials are your NIE or passport number. And the password is XX-YYY-ZZ Where XX is the day when you where born, YYY the 3 letters of the month in catalan (GEN, FEB, MAR, ABR, MAI, JUN, JUL, AGO, SET, OCT, NOV, DES)

One indie you can choose several options of the CRAI web http://www.urv.cat.sabidi.urv.cat/ca/vida-campus/serveis/crai/: go to Scopus, Web of science (middle bothom options) or look for a paper on electronic journals (http://www.urv.cat.sabidi.urv.cat/ca/vida-campus/serveis/crai/on-podeu-cercar/revistes-electroniques/)

ACCESS TO JOURNALS

1.- difficult browsing through http://www.urv.cat.sabidi.urv.cat/ca/vida-campus/serveis/crai/on-podeu-cercar/revistes-electroniques/

2.-A faster way to access the papers consists on: browse the journals web page. If you you want to download a paper click on your preferred option: pdf, html,... it will complain about the credentials. Then go to your browser url/address bar and add "sabidi.urb.cat" just after the journal/editorial name i.e. change "http://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b11580" by "http://pubs.acs.org.sabidi.urv.cat/doi/pdf/10.1021/acs.jpca.7b11580"

3.- We have access to most e-journals, but if you need some paper we do not have access to, you can ask Núria V. to get it from the URV university. It will take from 2 or 3 days to 3 weeks to arrive. If you can also check if it is in the URV library (http://cataleg.urv.cat/search) and pick it yourself.

Please, note Error on access to electronic journals

4.- Alternative access SCI-HUB

COMPUTATIONAL GROUPS AND ICIQ'S BOOKS AND JOURNALS

You can see a list of the books in the computational lab at: File:INVENTARI DE LLIBRES GRUPS.pdf). You can use them in the lab, but if you need to take them home or you’re going to be using one for a long time in the lab, please fill in the form you’ll find in the cabinet (remember to fill in the date when you return the book!). Books are for everyone to use, so please don't "store"/"hide" them on your desks because another person might need it and we go crazy looking for "missing" books. Ideally you should put the books back in the cabinet when you leave and take them again next day if you still need them.

We've also got a few ebooks, ask Núria V. for an e-copy, see list here: File:E-books.pdf.

ICIQ also has an extensive bibliography database. There’s a printed copy on the notice board but you can also check the list here: File:Bibliography ICIQ.pdf

SELECTED PAPERS:

• Fundamentals of Plane Wave calculations: [1]

• Test on functionals: [2]

• CI-NEB: d-band model: [3]

• Universality and related concepts: [4][5][6]

• Bayesian: [7]

• Interesting review on the accuracy of quantum chemical methods.File:A priori calculation molecular properties-Helgaker-04.pdf

• d and f polarization function basis sets by Frenking and coworkers. File:1993-CPL-208-237.pdf, File:1993-CPL-208-111.pdf, and a correction File:1994-CPL-224-603.pdf