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Dewar, Michael J. S.; Zoebisch, Eve G.; Healy, Eamonn F.; Stewart, James J. P. (1985). "Development and use of quantum mechanical molecular models. 76. AM1: A new general purpose quantum mechanical molecular model".
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model by reducing the repulsion of atoms at close separation distances. The atomic core-atomic core terms in the MNDO equations were modified through the addition of off-center attractive and repulsive
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Freire, RO; Rocha, GB; Simas, AM (2005). "Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu(III), Gd(III), and Tb(III)".
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Dewar, Michael J.S.; Jie, Caoxian; Yu, Jianguo (1993). "SAM1; the first of a new series of general purpose quantum mechanical molecular models".
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Rocha, GB; Freire, RO; Simas, AM; Stewart, JJ (2006). "RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I".
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The complexity of the parameterization problem increased in AM1 as the number of parameters per atom increased from 7 in
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The results of AM1 calculations are sometimes used as the starting points for parameterizations of forcefields in
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and co-workers and published in 1985. AM1 is an attempt to improve the
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integral approximation. Specifically, it is a generalization of the
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modified neglect of differential diatomic overlap approximation
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214:Journal of the American Chemical Society
155:Semi-empirical quantum chemistry methods
44:Neglect of Differential Diatomic Overlap
409:Semiempirical quantum chemistry methods
178:Introduction to Computational Chemistry
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182:. Jonh Wiley & Sons Ltd. pp.
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130:(SAM1), which is implemented in the
362:. You can help Knowledge (XXG) by
285:Journal of Computational Chemistry
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324:. Pearson Education Limited.
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81:to 13-16 per atom in AM1.
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91:AM1 is implemented in the
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320:Leach, Andrew R. (2001).
414:Quantum chemistry stubs
137:An extension of AM1 is
128:SemiChem Austin Model 1
126:An extension of AM1 is
40:computational chemistry
358:-related article is a
50:. Related methods are
42:. It is based on the
174:Frank Jensen (2007).
141:that is available in
61:AM1 was developed by
18:AM1 (disambiguation)
16:For other uses, see
322:Molecular Modelling
256:Inorganic Chemistry
226:10.1021/ja00299a024
86:molecular modelling
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235:Tetrahedron
117:GAMESS (UK)
109:GAMESS (US)
403:Categories
205:References
145:software.
123:programs.
113:PC GAMESS
305:16691568
276:15847440
149:See also
101:Gaussian
72:Gaussian
313:9017673
121:SPARTAN
36:quantum
30:, is a
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119:, and
354:This
309:S2CID
161:Notes
132:AMPAC
97:AMPAC
93:MOPAC
56:MINDO
26:, or
360:stub
326:ISBN
301:PMID
272:PMID
188:ISBN
143:VAMP
139:AM1*
105:CP2K
79:MNDO
67:MNDO
293:doi
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52:PM3
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