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MNDO modified neglect of differential

MNDO. Modified Neglect of Differential Overlap. A Semi-Empirical Model. [Pg.764]

MNDO Modified neglect of differential diatomic overlap... [Pg.194]

One semiempirical method which has been a workhorse in studies of fullerenes is the MNDO (Modified Neglect of Differential Overlap) method [4], which treats all valence electrons explicitly but within an essentially molecular... [Pg.535]

MNDO modified neglect of differential overlap (semiempirical quantum chemical method)... [Pg.337]

H = Hiickel, EH = extended Hiickel, PPP = Pariser-Pople-Parr, CNDO = complete neglect of differential overlap, INDO = intermediate neglect of differential overlap, NDDO = neglect of diatomic differential overlap, MNDO = modified neglect of differential overlap, MINDO = modified intermediate neglect of differential overlap. Note AMI and PM3 are MNDO methods that differ only in the way constants are chosen to approximate various integrals. [Pg.907]

CRF=core-repulsion function MIND03 = modified intermediate neglect of differential overlap, version 3 MNDO = modified neglect of differential overlap MNDO/d = modified neglect of differential overlap with d orbitals. [Pg.8]

CeSD = coupled cluster theory including single and double excitations MNDO = modified neglect of differential... [Pg.2420]

See other pages where MNDO modified neglect of differential is mentioned: [Pg.552] [Pg.174] [Pg.193] [Pg.354] [Pg.108] [Pg.2] [Pg.697] [Pg.354] [Pg.254] [Pg.437] [Pg.4] [Pg.571] [Pg.434] [Pg.436] [Pg.692] [Pg.535] [Pg.56] [Pg.109] [Pg.335] [Pg.657] [Pg.214] [Pg.263] [Pg.442] [Pg.278] [Pg.41] [Pg.48] [Pg.534] [Pg.608] [Pg.75] [Pg.461] [Pg.5] [Pg.561] [Pg.14] [Pg.906] [Pg.340] [Pg.220] [Pg.762] [Pg.1239] [Pg.2330]

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MNDO

Modified Neglect of Differential

Modified Neglect of Differential Overlap MNDO) model

Modified neglect

Modified neglect of differential overlap MNDO)

Neglect