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Austin Model 1

Known as: Recife Model 1, RM1 (chemistry), AMI chemistry 
Austin Model 1, or AM1, is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is… 
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AM1*AMPACBiochemical and Organic Simulation SystemCP2K

Papers overview

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2014
2014
Amino acids as corrosion inhibitors for copper in nitric acid medium: Experimental and theoretical study
The corrosion inhibition of copper in 1 M HNO3 was studied by gravimetric and potentiodynamic polarization by use of amino acids… 
2009
2009
Some novel insights into the binding of oseltamivir and zanamivir to H5N1 and N9 influenza virus neuraminidases: a homology modeling and flexible docking study
In the context of the recent pandemic threat by the worldwide spread of H5N1 avian influenza, novel insights into the mechanism… 
2009
2009
Modélisation des effets de l'évolution microstructurale sur le comportement mécanique du superalliage monocristallin AM1
Ce travail s'inscrit dans le contexte de la modelisation et de la prevision de la duree de vie des aubes de turbines haute… 
2008
2008
Crystal structure determination of capecitabine from X-ray synchrotron powder diffraction data
Capecitabine is the first FDA-approved oral chemotherapy for the treatment for some types of cancer, including advanced bowel… 
2006
2006
dibromo-4-hydroxyphenyl ) methyl ]-2-oxoethyl ]-4-( 1 , 4-dihydro-2-oxo-3 ( 2 H )-quinazolinyl ) ( BIBN 4096 BS ) Affinity for Calcitonin Gene-Related Peptide and Amylin Receptors — The Role of…
1-Piperidinecarboxamide, N-[2-[[5-amino-l-[[4-(4-pyridinyl)-lpiperazinyl]carbonyl]pentyl]amino]-1-[(3,5-dibromo-4-hydroxyphenyl… 
2001
2001
Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules
The collective electronic oscillator (CEO) approach based on the time-dependent Hartree–Fock approximation is combined with INDO… 
2000
2000
Low Temperature Spectra of the ortho-POPOP Molecule: Additional Arguments of Its Flattening in the Excited State
Low temperature absorption and fluorescence spectra were measured for 1,2-bis-(5-phenyl-oxazolyl-2)-benzene (ortho-POPOP), a… 
2000
2000
A QM/MM Study of the Conformational Equilibria in the Chorismate Mutase Active Site. The Role of the Enzymatic Deformation Energy Contribution
A conformational structures search of chorismate mutase substrate has been carried out using in vacuo AM1 and MP2/6-31G* methods… 
1999
1999
Quantum Chemical Analysis and Experimental Study of the Cycloaddition Reaction between Aminoacetylenes and 6-Nitroindolizines. NMR and ab Initio Evidence for the (4+2) Adduct Formation
7-Methyl-6-nitro-2-phenylindolizine (Ia) reacts with 1-(diethylamino)-2-methylacetylene (IIa) giving 1:1 cycloadduct IIIa and not… 
1998
1998
Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures
In a feasibility study, a single conformation 3D version of the Maybridge database (53 471 compounds) has been produced using… 
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