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Este texto, dirigido a estudiantes y profesores, es el resultado de una dilatada experiencia docente. Recoge, en los quince capítulos de que consta, una serie de problemas resueltos, de diferente grado de dificultad, sobre los tópicos más habituales en las citadas materias, ofreciendo al alumno una valiosa ayuda en el proceso de autoaprendizaje. Cada capítulo contiene, además, un breve resumen de los conceptos más relevantes, necesarios para la resolución de los problemas planteados.

Quantum chemistry --- Quantum chemistry. --- Molecular spectroscopy.

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For the first time in the history of chemical sciences, theoretical predictions have achieved the level of reliability that allows them to - val experimental measurements in accuracy on a routine basis. Only a decade ago, such a statement would be valid only with severe qualifi- tions as high-level quantum-chemical calculations were feasible only for molecules composed of a few atoms. Improvements in both hardware performance and the level of sophistication of electronic structure me- ods have contributed equally to this impressive progress that has taken place only recently. The contemporary chemist interested in predicting thermochemical properties such as the standard enthalpy of formation has at his disposal a wide selection of theoretical approaches, differing in the range of app- cability, computational cost, and the expected accuracy. Ranging from high-level treatments of electron correlation used in conjunction with extrapolative schemes to semiempirical methods, these approaches have well-known advantages and shortcomings that determine their usefulness in studies of particular types of chemical species. The growing number of published computational schemes and their variants, testing sets, and performance statistics often makes it difficult for a scientist not well versed in the language of quantum theory to identify the method most adequate for his research needs.

Thermochemistry. --- Quantum chemistry. --- Quantum chemistry --- Chemical thermodynamics --- fysicochemie --- Chemistry. --- Physical chemistry. --- Physical Chemistry. --- Chemistry, Physical organic. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Data processing. --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Thermodynamics --- Heat

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Quantum chemistry --- fysicochemie --- Chemical bonds. Valence --- Chemical bonds --- Molecules --- History. --- Models --- Chemical bonds - History. --- Molecules - Models --- Acqui 2006

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Quantum chemistry. --- Quantum theory. --- Chimie quantique --- Théorie quantique --- atoomspin --- elektronegativiteit --- helium --- moleculaire beweging --- quantummechanica --- quantumtheorie --- spectroscopie --- waterstof --- Chemistry, Quantum --- Excited state chemistry --- Quantum mechanics. Quantumfield theory --- Quantum chemistry --- Quantum theory --- differentiaalvergelijking --- scheikunde (chemie) --- Quantum dynamics --- Quantum mechanics --- Quantum physics --- Physics --- Mechanics --- Thermodynamics --- Chemistry, Physical and theoretical

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fysicochemie --- Chemical bonds. Valence --- 541.57 --- 54 --- chemische bindingen --- 541 --- 544.14 --- Chemische binding --- Bonds --- chemie. scheikunde --- 541.57 Bonds --- Atomic structure --- Chemical bonds --- Bonds, Chemical --- Chemical structure --- Chemistry, Physical and theoretical --- Overlap integral --- Quantum chemistry --- Valence (Theoretical chemistry) --- Structure, Atomic --- Atomic theory --- Chemical bonds.