Natural bond orbital
In quantum chemistry, a natural bond orbital or NBO is a calculated bonding orbital with maximum electron density. The NBOs are one of a sequence of natural localized orbital sets that include "natural atomic orbitals" (NAO), "natural hybrid orbitals" (NHO), "natural bonding orbitals" (NBO) and "natural (semi-)localized molecular orbitals" (NLMO). These natural localized sets are intermediate between basis atomic orbitals (AO) and molecular orbitals (MO): Atomic orbital → NAO → NHO → NBO → NLMO → Molecular orbital
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Natural bond orbital
In quantum chemistry, a natural bond orbital or NBO is a calculated bonding orbital with maximum electron density. The NBOs are one of a sequence of natural localized orbital sets that include "natural atomic orbitals" (NAO), "natural hybrid orbitals" (NHO), "natural bonding orbitals" (NBO) and "natural (semi-)localized molecular orbitals" (NLMO). These natural localized sets are intermediate between basis atomic orbitals (AO) and molecular orbitals (MO): Atomic orbital → NAO → NHO → NBO → NLMO → Molecular orbital
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In der Quantenchemie entsprich ...... ellenfunktion intrinsisch ist.
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In quantum chemistry, a natura ...... o the N-electron wavefunction.
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Натуральна орбіталь — орбіталь ...... квантово-хімічних розрахунків.
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自然键轨道理论(缩写:NBO)是一种对密度矩阵部分对角化,从 ...... 于一个多电子波函数的唯一的一组具有最大占据数的单电子波函数。
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量子化学において、自然結合軌道(しぜんけつごうきどう、英: ...... Olov Löwdinによって1955年に初めて導入された。
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In der Quantenchemie entsprich ...... lekülorbitalen (MO) einordnen:
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In quantum chemistry, a natura ...... NBO → NLMO → Molecular orbital
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Натуральна орбіталь — орбіталь ...... квантово-хімічних розрахунків.
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自然键轨道理论(缩写:NBO)是一种对密度矩阵部分对角化,从 ...... 于一个多电子波函数的唯一的一组具有最大占据数的单电子波函数。
@zh
量子化学において、自然結合軌道(しぜんけつごうきどう、英: ...... Olov Löwdinによって1955年に初めて導入された。
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Natural Bond Orbital
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Natural bond orbital
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Натуральна орбіталь
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自然結合軌道
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自然键轨道理论
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