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Symmetric orthogonalized intermediate neglect

SINDO symmetrically orthogonalized intermediate neglect of differential overlap... [Pg.94]

MNDO = modified neglect of diatomic overlap MNDO/d = modified neglect of diatomic overlap with d-type orbitals NLDF = nonlocal density functional PM3/d = parametric method three with d-type orbitals SINDOl = symmetrically orthogonalized intermediate neglect of diatomic overlap parametrization one TM = transition metal UFF = universal force field ZINDO = Zemer s intermediate neglect of diatomic overlap. [Pg.3074]

Other semiempirical methods which are available for theoretical studies of TM compounds are PRDDO, ZINDO (Zemer s intermediate neglect of diatomic overlap), SINDOl (symmetrically orthogonalized intermediate neglect of diatomic overlap parametrization one), and EHT (see PRDDO Semiempirical Methods Transition Metals and SINDOl Parameterization and Application). [Pg.3075]

Semiempirical SCF calculations were done using the approximations NDDO (neglect of diatomic differential overlap) [18], MNDO (modified neglect of diatomic overlap) [19], INDO (intermediate neglect of differential overlap) [20], SINDO (symmetrically orthogonalized INDO [21]) [22], and CNDO (complete neglect of differential overlap) [20, 23]. Another type of approximation [24] to the ab initio method was also applied to OF2 [16]. [Pg.11]


See other pages where Symmetric orthogonalized intermediate neglect is mentioned: [Pg.35]    [Pg.368]    [Pg.46]    [Pg.2599]    [Pg.35]    [Pg.368]    [Pg.35]    [Pg.368]    [Pg.46]    [Pg.2599]    [Pg.35]    [Pg.368]    [Pg.16]   


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Neglect

Orthogonalization symmetric

SINDO (symmetrically orthogonalized intermediate neglect of differential

Symmetric orthogonalized intermediate neglect of differential overlap

Symmetrical orthogonalization

Symmetrically orthogonalized intermediate neglect of differential

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