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Quantum chemistry --- Quantum theory --- Chimie quantique --- Théorie quantique --- Problems, exercises, etc --- Problèmes et exercices
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Describes and discusses the use of theoretical models as an alternative to experiment in making accurate predictions of chemical phenomena. Addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. Draws on a series of models that have already received widespread application and are available for new applications. A new and powerful research tool for the practicing experimental chemist.
Quantum chemistry --- fysicochemie --- Molecular orbitals --- Orbites moléculaires --- Chimie quantique --- 544.18 --- 544.182 --- #WSCH:AAS2 --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Orbitals, Molecular --- Chemical bonds --- Electrons --- Molecules --- Overlap integral --- Valence (Theoretical chemistry) --- Wave mechanics --- Molecular orbitals. --- Quantum chemistry. --- 544.18 Quantum chemistry --- Orbites moléculaires --- Quantum mechanics
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Quantum chemistry --- Chemistry of complexes --- fysicochemie --- Metals and their compounds --- 530.145 <063> --- Coordination compounds --- -Quantum chemistry --- -Transition metal compounds --- Complex compounds --- Sequestration (Chemistry) --- Quantum theory--Congressen --- 530.145 <063> Quantum theory--Congressen --- Transition metal compounds --- #WSCH:AAS2 --- Chemicals --- Congresses --- Congresses.
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Excited state chemistry --- Physical organic chemistry --- Chemistry --- Physical Sciences & Mathematics --- Physical & Theoretical Chemistry --- 541.132 <063> --- -Intermediates (Chemistry) --- -Reaction intermediates (Chemistry) --- Reactive intermediates (Chemistry) --- Organic compounds --- Chemistry, Physical and theoretical --- Energy levels (Quantum mechanics) --- Quantum chemistry --- Electrolytic dissociation. Ions--Congressen --- Congresses --- Conferences - Meetings --- -Electrolytic dissociation. Ions--Congressen --- 541.132 <063> Electrolytic dissociation. Ions--Congressen --- Intermediates (Chemistry) --- Reaction intermediates (Chemistry) --- Chemistry [Physical organic ]
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Quantum chemistry --- Supercomputers --- Chimie quantique --- Super-ordinateurs --- Data processing --- Congresses --- Informatique --- Congrès --- 54 --- 519.6:54 <063> --- 681.3 --- Chemistry. Mineralogical sciences --- Computational mathematics. Numerical analysis. Computer programming-:-Chemistry. Mineralogical sciences--Congressen --- Computerwetenschap --- Conferences - Meetings --- Congresses. --- 519.6:54 <063> Computational mathematics. Numerical analysis. Computer programming-:-Chemistry. Mineralogical sciences--Congressen --- 54 Chemistry. Mineralogical sciences --- Congrès --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Data processing&delete& --- 681.3* / / / / / / / / / / / / / / / / / / / / / / / / / / / /
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Symmetry (Physics) --- Molecular theory --- 541.1 --- 541.5 --- 548.12 --- #wbib:dd.Prof.H.Bosmans --- Invariance principles (Physics) --- Symmetry (Chemistry) --- Conservation laws (Physics) --- Physics --- Chemistry, Physical and theoretical --- Matter --- Physical chemistry --- Valencies. Bonds. Affinity --- Theory of symmetry. Theory of original forms in general --- Constitution --- Molecular theory. --- Symmetry (Physics). --- 548.12 Theory of symmetry. Theory of original forms in general --- 541.5 Valencies. Bonds. Affinity --- 541.1 Physical chemistry --- Théorie moléculaire --- Symétrie (Physique) --- Théorie moléculaire --- Symétrie (Physique) --- Quantum chemistry --- Physicochemistry --- fysicochemie --- #WSCH:MACV --- Symmetry (physics)
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Molecular orbitals --- 539.194 --- #WSCH:AAS1 --- #WSCH:AAS2 --- #WSCH:MODS --- Orbitals, Molecular --- Chemical bonds --- Electrons --- Molecules --- Overlap integral --- Quantum chemistry --- Valence (Theoretical chemistry) --- Wave mechanics --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc
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Tunneling (Physics) --- Quantum biochemistry --- Biophysics --- Quantum Theory --- Biochemistry --- Congresses --- Biochemistry. --- Biophysics. --- Quantum Theory. --- 530.145.6 <063> --- 537.533.35 <043> --- -Tunneling (Physics) --- -Penetration probability --- Quantum mechanical tunneling --- Tunnel effect --- Electric conductivity --- Solids --- Biochemistry, Quantum --- Biology, Quantum --- Quantum biology --- Quantum chemistry --- Quantum Theories --- Theories, Quantum --- Theory, Quantum --- Mechanobiology --- Wave mechanics. Corpuscular waves. Matrices--Congressen --- Electron microscopy--Dissertaties --- -Wave mechanics. Corpuscular waves. Matrices--Congressen --- 537.533.35 <043> Electron microscopy--Dissertaties --- 530.145.6 <063> Wave mechanics. Corpuscular waves. Matrices--Congressen --- -Quantum Theories --- Penetration probability --- Tunneling (Physics) - Congresses --- Quantum biochemistry - Congresses --- Biophysics - congresses --- Quantum Theory - congresses --- Biochemistry - congresses
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Quantum chemistry --- fysicochemie --- Molecular physics --- Excited state chemistry --- Molecular dynamics --- Chimie des états excités --- Dynamique moléculaire --- Mathematical models --- Congresses --- Modèles mathématiques --- Congrès --- 539.194 <063> --- 531.64 <063> --- -Molecular dynamics --- -#WSCH:AAS2 --- Dynamics, Molecular --- Dynamics --- Chemistry, Physical and theoretical --- Energy levels (Quantum mechanics) --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc.--Congressen --- Potential energy--Congressen --- -Congresses --- Congresses. --- 531.64 <063> Potential energy--Congressen --- 539.194 <063> Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc.--Congressen --- Chimie des états excités --- Dynamique moléculaire --- Modèles mathématiques --- Congrès --- #WSCH:AAS2 --- Mathematical models&delete& --- Moleculaire dynamica. Wiskundige modellen. (Congres) --- Etat excité [Chimie]. Modèles mathématiques. (Congrès) --- Dynamique moléculaire. Modèles mathématiques. (Congrès) --- Opgewekte staat [Chemie]. Wiskundige modellen. (Congres) --- Molecular dynamics - Mathematical models - Congresses --- Excited state chemistry - Mathematical models - Congresses
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