Expected results from this subject |
Training and Learning Results |
Formulate molecular Hamiltonians, with use of the Born-Oppenheimer approximation and discussion of their consequences. |
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C3 C20 C22 C23
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D1 D3 D4 D5 D6 D7 D9 D12 D13 D14
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Work with potential energy profiles and surfaces and understand related concepts. |
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C3 C19 C20 C22 C28 C29
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D1 D3 D4 D5 D6 D7 D9 D12 D13 D14
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Apply MO and EV methods for describing the chemical bond in simple systems and understand the limitations of these methods. |
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C3 C8 C19 C20 C21 C22 C23 C27 C28 C29
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D1 D3 D4 D5 D6 D7 D9 D12 D13 D14 D15
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Describe orbital localization techniques and the basis for atomic orbital hybridisation. |
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C3
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D1 D3 D4 D6 D9
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Apply, with understanding of their foundations and their limitations, the main calculation methods (HF, DFT, post-HF) for the study of molecular structures. |
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C3 C19 C20 C22 C23 C28 C29
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D1 D3 D4 D5 D6 D7 D9 D12 D13 D14
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Describe the forms of radiation-matter interactions and formulate the selection rules of electrical dipole. |
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C8
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D1 D3 D4 D6 D9
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Relate the radiation frequency with the molecular motion responsible of a spectroscopic transition. |
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C8
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D1 D3 D4 D6 D7 D9
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Justify the broadening of spectral lines and the enviromental effects on different spectra. |
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C8
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D1 D3 D4 D6 D9
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Interpret rotation and vibration-rotation spectra to obtain structural information, making use of simple quantum-mechanical models (rigid and flexible rotor and harmonic and anharmonic oscillators), selections rules and line assignment techniques. |
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C3 C8 C19 C20 C22 C23 C27 C28 C29
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D1 D3 D4 D5 D6 D7 D9 D12 D13 D14
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Discuss the Franck-Condon principle and its consequences. |
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C3 C8
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D1 D3 D4 D6 D9
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Interpret electronic and photoelectronic spectra and obtain structural information. |
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C3 C8 C19 C22
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D1 D3 D4 D5 D6 D7 D9
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Describe the different deactivation processes of excited electronic states and their representation in a Jablonski diagram. |
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C8 C19
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D1 D3 D4 D6 D9
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Describe the foundations of magnetic resonance spectroscopies, and interpret the physical origin of chemical shifts and couplings in NMR spectra. |
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C8 C19 C22
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D1 D3 D4 D6 D9
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Describe the instrumental peculiarities of the spectroscopic techniques in different spectral regions, as well as the foundations and applications of laser and Fourier-transform based techniques. |
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C8
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D1 D3 D4 D6 D9
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Apply the theoretical knowledge of Physical Chemistry I to determine experimentally chemical equilibrium constants, activity coefficients and thermochemical magnitudes. |
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C6 C19 C20 C21 C23 C27 C28 C29
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D1 D3 D4 D5 D6 D7 D8 D9 D12 D13 D14 D15
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New |
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