Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions
This thesis deals with the so-called Basis Set Superposition Error (BSSE) from both a methodological and a practical point of view. The purpose of the present thesis is twofold: (a) to contribute step ahead in the correct characterization of weakly bound complexes and, (b) to shed light the understa...
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| Format: | Doctoral Thesis |
| Language: | English |
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Universitat de Girona
2001
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| Online Access: | http://hdl.handle.net/10803/7935 http://nbn-resolving.de/urn:isbn:8484581438 |