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Ab Initio Molecular Orbital Methods
Ab Initio Molecular Orbital Methods :
• More accurate treatment of the electronic distribution using the full Schroedinger equation
• Can be systematically improved to obtain chemical accuracy
• Does not need to be parameterized or calibrated with respect to experiment
• Can describe structure, properties, energetics and reactivity
• Expensive
• More accurate treatment of the electronic distribution using the full Schroedinger equation
• Can be systematically improved to obtain chemical accuracy
• Does not need to be parameterized or calibrated with respect to experiment
• Can describe structure, properties, energetics and reactivity
• Expensive
370/5000
Ab Initio Molecular Orbital Methods :• More accurate treatment of the electronic distribution using the full Schroedinger equation• Can be systematically improved to obtain chemical accuracy• Does not need to be parameterized or calibrated with respect to experiment• Can describe structure, properties, energetics and reactivity• Expensive
Sedang diterjemahkan, harap tunggu..
Ab initio Molecular Orbital Metode:
pengobatan • Lebih akurat dari distribusi elektronik menggunakan penuh Schroedinger persamaan
• Bisa sistematis ditingkatkan untuk memperoleh akurasi kimia
• Tidak perlu parameter atau dikalibrasi terhadap bereksperimen
• Dapat menjelaskan struktur, sifat, energetika dan reaktivitas
• Mahal
pengobatan • Lebih akurat dari distribusi elektronik menggunakan penuh Schroedinger persamaan
• Bisa sistematis ditingkatkan untuk memperoleh akurasi kimia
• Tidak perlu parameter atau dikalibrasi terhadap bereksperimen
• Dapat menjelaskan struktur, sifat, energetika dan reaktivitas
• Mahal
Sedang diterjemahkan, harap tunggu..
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