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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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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… 
2002
2002
Global optimization of H-passivated Si clusters with a genetic algorithm
We have developed a genetic algorithm (GA) for the global geometry optimization of fully and partially H-passivated Si clusters… 
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
1,3-Dipolar Cycloadditions of N-Benzyl Furfuryl Nitrones with Electron-rich Alkenes
The 1,3-dipolar cycloaddition reaction of N-benzyl-C-(2-furyl)nitrones with electron-rich alkenes gives preferentially trans… 
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… 
1993
1993
Phenotypic characterization of c-type-cytochrome-deficient mutants of Methylobacterium extorquens AM1 and identification of two chromosomal regions essential for the production of c-type cytochromes
Four mutants of Methylobacterium extorquens AM1 which were deficient in the production of soluble c-type cytochromes have been… 
1988
1988
Application of semiempirical molecular orbital theory to cationic intermediates involved in the solvolysis of 1-halobicyclo[n.1.1]alkanes
The structures of the bicyclo[n.l.l]alkylium cations (2), n = 1-3, have been determined by using various molecular orbital…