Natural Bond Orbital Methods

Weinhold F (1998) Natural bond orbital methods. In Schleyer PvR, Allinger NL, ( lark T, Gasteiger J, Kollman PA, Schaefer III HF, Schreiner PR (eds) Encyclopedia of computational chemistry, vol 3, John Wiley Sons, Chichester, UK, p 1792... 

Verkade JG (1986) A pictorial approach to molecular bonding. Springer, New York Giendening ED, Landis CR, Weinhold F (2012) Natural bond orbital methods. Wiley Interdiscip Rev Comput Mol Sci 2 1-42. doi 10.1002/wcms.51... 

Weinhold F (2002) Natural bond orbital methods. In Encyclopedia of computational chemistry, John Wiley Sons, Ltd... 

AMI Basis Sets Correlation Consistent Sets Complete Active Space Self-consistent Field (CASSCF) Second-order Perturbation Theory (CASPT2) Configuration Interaction Coupled-cluster Theory Density Functional Theory (DFT), Hartree-Fock (HF) and the Self-consistent Field Diradicals Electronic Wavefunctions Analysis G2 Theory M0ller-Plesset Perturbation Theory Natural Bond Orbital Methods Spin Contamination. 

AMI Cambridge Structural Database Carbohydrate Force Fields Conformational Analysis 1 Conformational Analysis 2 Conformational Analysis 3 Continuum Solvation Crystal Structure Calculations 1 Crystal Structure Calculations 2 Cyclodextrins Force Fields MM3 Hydrogen Bonding 1 Hydrogen Bonding 2 Hydrogen Bonds Semiempirical Methods Hyperconjugation MNDO Natural Bond Orbital Methods PM3 Solvation Carbohydrates. 

AMBER A Program for Simulation of Biological and Organic Molecules Atoms in Molecules Charge Flux Electronic Wavefunctions Analysis Electrostatic Potentials Chemical Applications Free Energy Changes in Solution Natural Bond Orbital Methods Natural Orbitals. 

Atoms in Molecules Electrostatic Potentials Chemical Applications Localized MO SCF Methods Molecular Magnetic Properties Natural Bond Orbital Methods Natural Orbitals Population Analyses for Semiempirical Methods Shape Analysis. 

Carbocation Force Fields Carbocation Stabilities Comparison of Theory and Experiment Carbohydrate Force Fields Carbohydrates Conformational Analysis 1 Conformational Analysis 2 Conformational Analysis 3 Force Fields A Brief Introduction Force Fields A General Discussion Infrared Spectra Interpretation by the Characteristic Frequency Approach Natural Bond Orbital Methods Solvation Carbohydrates Transition States in Organic Chemistry Ab Initio. 

RELATED ARTICLE Natural Bond Orbital Methods. 

Continuum Solvation Electronegativity and the Periodic Table Electronic Wavefunctions Analysis Free Energy Changes in Solution G2 Theory Natural Bond Orbital Methods Rotational Barriers Barrier Origins Self-consistent Reaction Field Methods. 

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