Skip to search formSkip to main contentSkip to account menu

CNDO/2

CNDO is the abbreviation for Complete Neglect of Differential Overlap, one of the first semi empirical methods in quantum chemistry. It uses two… 
Wikipedia (opens in a new tab)

Related topics

Related topics

9 relations
Computational chemistryExtended Hückel methodGaussian (software)Hartree–Fock method

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2009
2009
Evaluation of some improved bread wheat varieties at Chiyako, Jigawa State, Nigeria.
Investigations were conducted at Chiyako in Jigawa State situated in the Sudan Savanna ecological zone of Nigeria, during 2001/02… 
2004
2004
Application of the polarizability theory to the calculation of anisotropic circular dichroism spectra
2002
2002
A THEORETICAL STWDY OF DESORPTION INDUCED BY HEROIC ~NS~ONS IN ALKALI HALIDES
We have studied desorption following the excitation of coreor valence-electrons using quantum chemical calculations of the… 
Highly Cited
1999
Highly Cited
1999
Comment on “Improving protein circular dichroism calculations in the far-ultraviolet through reparametrizing the amide chromophore” [J. Chem. Phys. 109, 782 (1998)]
Circular dichroism spectra for 23 proteins have been calculated using transition parameters from experiments on model amides and… 
1993
1993
Calculation of Vibrational Wavenumbers of Octahedral Closed-Shell Complexes Using Semiempirical Methods of Quantum Chemistry
Quantum-chemical computations for systems con­ taining heavier atoms meet troubles of two kinds at least. The first one concerns… 
1983
1983
Force field of acetic acid: use of CNDO/force calculations
The redundancy-free internal valence force field of monomeric acetic acid is evaluated using CNDO/force calculations and least… 
1976
1976
Transmission des influences structurales dans un système à conjugaison en croix : déplacements chimiques 13C et distribution de charge dans les chalcones substituées
La transmission des influences selon le point de substitution dans un systeme a conjugaison en croix (chalcones4 X — C 6 H 4 — CH… 
1975
1975
Semiempirical methods of parametrization of cndo in polyatomic-molecules
1972
1972
Nucleophilic Substitution at a Carbonyl Carbon Atom. Part II. CNDO/2 Studies on Conformation and Reactivity of the Thio-Analogues of the Thio-Analogues of Methyl Chloroformate
CNDO/2 calculations have been carried out on methyl chloro-thiol-, methyl chloro-thiono-, and methyl chloro-dithio-formates… 
1971
1971
The electronic structure of carbonium ions
A large number of carbonium ions are calculated with a modified CNDO procedure. The study of the electronic structure of these… 
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy (opens in a new tab), Terms of Service (opens in a new tab), and Dataset License (opens in a new tab)