Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters

Keywords

MNDO, Citation, Icon, Social media, Computer science

References

No references recorded for this paper.

Cited by

• Identification of a glycine‐like fragment on the strychnine moleculeM. H. Aprison, Kenny B. Lipkowitz, Jay Simon — 1987
• Investigation of Potential Energy Surface of Thioformaldehyde-S-S-dioxide by MNDO MethodS. N. Lyashchuk — 2001
• Development of Weiner et al. Force Field Parameters Suitable for Conformational Studies of [1, 4]-Benzodiazepines and Related CompoundsJordi Canals — 1997
• QM/MM investigations of organic chemistry oriented questions.Thomas Schmidt, Alexander Paasche, Christoph Grebner — 2014
• The implementation of a fast and accurate QM/MM potential method in AmberS.E. Kuehn — 2008
• Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations.Матонин Василий Николаевич — 2012
• Diels-Alder-Reaktionen von Vinylindolen mit Arin und 1,4-Benzochinonen: Neue potentielle DNA-InterkalatorenUlf Pindur, L. PFEUFFER, Manfred Eitel — 1991
• Tautomerism and stereochemistry of dihydroxyperylenequinones: Force field investigationsCh. Etzlstorfer, Heinz Falk, Norbert Müller — 1993
• Quantum–Chemical Calculations of the Spatial Structure of Bilirubin Molecule FragmentsВ. А. Кузьмицкий — 2001
• Structures and energetics of (MgCO3)n clusters (n ≤ 16).Mingyang Chen, Virgil E. Jackson, Andrew R. Felmy — 2015
• Thermal Stability of Mono- and Polycyclic Peroxyalcohols and Their Derivatives by Thermal AnalysisА. P. Yuvchenko, Е. А. Дикусар, Н. Г. Козлов — 2001
• On the reaction of dithiocarbamates with nitrogen-containing derivates of oxalic acidVilmos F�l�p, Alajos Kálmán, Rainer Beckert — 1989
• Reaction of Zinc Enolates of Alkyl Esters of Substituted 4-Bromo-3-Oxoalkanoic Acids with AldehydesV. V. Shchepin, Yu. Kh. Sazhneva, Dmitry N. Litvinov — 2003
• Approaches to Increase the Accuracy of Molecular Dynamics SimulationsManuel Dömer — 2013
• Small optical gap molecules and polymers: using theory to design more efficient materials for organic photovoltaics.Chad Risko, Jean‐Luc Brédas — 2014
• The synthesis of N-substituted ureas II: Nucleophilic substitution of ureas at the carbonyl groupKurt A. Hackl, Heinz Falk — 1992
• Norcaradiene-cycloheptatriene substituted in position 7: Investigation of the valence isomerization equilibriumYahya Güzel, Emin Sarıpınar, İsmail Yıldırım — 1996
• Thermal decomposition of aminotetrazolesPart 1. 5-AminotetrazoleSergei V. Levchik, O.A. Ivashkevich, A.I. Balabanovich — 1992
• Quantum-Chemical Calculations of the Reaction of Haloalkynes with Grignard CompoundsN. M. Ivanova, V. A. Markus, Z. M. Muldakhmetov — 2001
• The combined use of SCF-MO calculations and experimental data in the evaluation of quadratic force fields: MOCIC potential functions for fluoroform, methyl acetylene, and methyl cyanideBasil I. Swanson, T. H. Arnold, Y. Yamaguchi — 1979

Related papers

• MNDO/M Calculations on hydrogen bonded systemsAndrey A. Bliznyuk, Alexander A. Voityuk — 1988
• MNDO calculations for compounds containing aluminum and boronLarry P. Davis, R. Martin Guidry, J. R. Williams — 1981
• Structure and relative energies of some nitrogen-containing radical cations by MNDO calculationMinh Tho Nguyen, Anthony F. Hegarty, Paul Brint — 1985
• Limitations on mndo and mndo/ci computations of activation barriersRay Engelke — 1981
• Icon «The Judgment of the Jews over Christ» of the First Half of the XIX CenturyЕлена Леонидовна Тихомирова — 2020
• Are MNDO parameters suitable for excited statesAsit K. Chandra, Mahuya Banerjee — 1991
• Tautomeric equilibria of heterocyclic molecules. A test of the semiempirical AM1 and MNDO‐PM3 methodsWalter M. F. Fabian — 1990
• Energy of formation and structures of monoaquacomplexes of anions: Results of calculations by the MNDO/M methodAlexander A. Voityuk, Andrey A. Bliznyuk — 1990
• NO-MNDO: Reintroduction of the Overlap Matrix into MNDO.Kurt W. Sattelmeyer, Ivan Tubert‐Brohman, William L. Jorgensen — 2006