physical-chemistry

## What I do - Apply physics to chemical systems - Study molecular structure and spectroscopy - Analyze chemical thermodynamics - Investigate reaction kinetics - Research quantum chemistry - Model chemical systems ## When to use me - When studying molecular spectroscopy - When analyzing thermodynamic properties - When investigating reaction rates - When applying quantum mechanics to molecules - When modeling chemical equilibria - When studying phase transitions ## Key Concepts ### Thermodynamics **Laws** 1. Energy conservation 2. Entropy increases 3. Absolute zero unattainable **Key Equations** ```python # Thermodynamic relationships def gibbs_free_energy(H, S, T): """ Determine spontaneity. G = H - TS """ return H - T * S def equilibrium_constant(dG): """ Calculate K from ΔG°. ΔG° = -RT ln K """ R = 8.314 # J/(mol·K) return np.exp(-dG / (R * 298)) def nernst_potential(E, Q, n): """ Concentration effect on potential. E = E° - (RT/nF) ln Q """ return E - (0.0592 / n) * np.log10(Q) ``` ### Kinetics - Rate laws and order - Activation energy (Arrhenius) - Transition state theory - Catalysis - Reaction mechanisms ### Quantum Chemistry - Wave mechanics - Schrödinger equation - Molecular orbitals - Born-Oppenheimer approximation - Hartree-Fock theory - Density functional theory ### Spectroscopy - UV-Vis: Electronic transitions - IR: Vibrational transitions - NMR: Nuclear spin transitions - EPR: Electron spin transitions - Raman: Vibrational (inelastic)