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NDDO

In computational chemistry, NDDO stands for neglect of diatomic differential overlap. The formalism was first introduced by John Pople and it is now… 
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Austin Model 1Basis set (chemistry)CNDO/2Computational chemistry

Papers overview

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2016
2016
Study of the terahertz spectra of crystalline materials using NDDO semi-empirical methods: polyethylene, poly(vinylidene fluoride) form II and $\alpha$-D-glucose
Semi-empirical quantum chemistry methods offer a very interesting compromise between accuracy and computational load. In order to… 
2014
2014
Estudo teórico sobre armazenagem e estabilidade de gases em nanoestruturas de Carbono
O estudo atual de nanoestruturas de carbono, dentre as quais se podem citar as buckyballs e os nanotubos de carbono, tem gerado… 
2003
2003
Library Handbook for Organic Chemists By Andrew Poss. Chemical Publishing 2000, ISBN 0-8206-0361-9
2003
2003
Estudio de efectos conformacionales y estructurales en moléculas : desarrollo de métodos basados en interacciones orbitales para analizar sus mecanismos electrónicos
Se desarrollo un esquema derivado del formalismo de orbitales localizados NBO, en el que las interacciones intramoleculares se… 
2001
2001
Intra‐ and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP‐NDDO method
Stabilization energies of crystals of polar molecules were calculated with the recently developed NDDO‐SCMP method that… 
Review
2001
Review
2001
DIVISION OF COMPUTERS IN CHEMISTRY ABSTRACTS
text not available. 52. FINGERPRINT ANALYSIS OF PROTEINS AND LIGANDS FOR HIGH-THROUGHPUT SCREENING. W. Todd Wipke, Zheng Yang… 
2000
2000
Oxygen diffusion through the Ag(111) surface: A quantum chemical study by the NDDO/MC method
Atomic forms of oxygen on the (111) face of metallic silver are studied by the NDDO/MC semiempirical method. The surface (above… 
1998
1998
Théorie SCF-GIAO-NDDO du diamagnétisme moléculaire et modélisation des susceptibilités diamagnétiques moyennes et des déplacements chimiques de RMN dans le cadre de MOPAC
Les calculs SCF-GIAO de type Hartree-Fock couples (CHF), permettent de porter le logiciel MOPAC, dans le domaine des… 
1994
1994
Comparison of NDDO and quasi‐ab initio approaches to compute semiempirical molecular electrostatic potentials
The suitability of the two most widely used strategies to compute semiempirical MEPs is examined. For this purpose, MEP minima… 
1988
1988
Non-innocent bidentate nitrogen-ligands in electron-rich complexes of 3d-elements
Abstract 
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