Molecular orhilal

Molecular Orhilal Studies of "Very Mixed"-Meta ( lusters... 

Any molecular orhilal that has the symmetry property shown in Figure 1...6 is called a a orbital. Both i/tMO and hydrogen molecule model are a orbitals. 

ITyperChem uses the Linear Combination of Atomic Orhilals-Molecular Orbital (LCAO-MO) approximation for all of itsah initio sem i-empirical melh ods. If rg, represen is a molecular orbital and... 

In our treatment of molecular systems we first show how to determine the energy for a given iva efunction, and then demonstrate how to calculate the wavefunction for a specific nuclear geometry. In the most popular kind of quantum mechanical calculations performed on molecules each molecular spin orbital is expressed as a linear combination of atomic orhilals (the LCAO approach ). Thus each molecular orbital can be written as a summation of the following form ... 

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