ARTÍCULOS EN REVISTAS INDEXADAS

2020

34. Valdéz-Camacho, J. R., Ramírez-Solís, A., Escalante, J., Ruiz-Azuara, L., & Hô, M.* (2020). Theoretical determination of half-wave potentials for phenanthroline-, bipyridine-, acetylacetonate-, and glycinate-containing copper (II) complexes. Journal of Molecular Modeling, 26(7), 191. https://doi.org/10.1007/s00894-020-04453-x

33. Hô, M.*, Alday Toledo, L. F., & Bernal-Jaquez, R. (2020). Classroom Friendly Method to Calculate Character Tables for Finite Groups. Journal of Chemical Education, acs.jchemed.0c00018. https://doi.org/10.1021/acs.jchemed.0c00018

2016

32. Zicovich-Wilson, C. M.*; Hô, M.; Navarrete-López, A. M.; Casassa, S. Hirshfeld-I Charges in Linear Combination of Atomic Orbitals Periodic Calculations. Theor. Chem. Acc. 2016, 135 (8), 1–13. DOI: 10.1007/s00214-016-1942-5

31. Sandoval-Lira, J.; Hô, M.; Hernández-Esparza, R.; Ramírez, J. C.; Hernández-Pérez, J. M.* Characterizing off-Diagonal Regions of One-Electron Density Matrix. Theor. Chem. Acc. 2016, 135 (6), 1–10. DOI: 10.1007/s00214-016-1904-y

2014

30. Hô, M.*, Hernández – Perez, J.*, Evaluation of Gaussian Molecular Integrals, III. Nuclear-Electron Attraction Integrals. The Mathematica Journal, 2014 (16). Online

2013

29. Hô, M.*, Hernández – Perez, J.* Evaluation of Gaussian Molecular Integrals, II. Kinetic-Energy Integrals. The Mathematica Journal, 2013 (15). Online

28. Hô, M.; Hernández‐Lamoneda, R.* Corrigendum: Theoretical Study of the Agostic Bond in Me2Al (tBu2pz) 2Li (THF). Int. J. Quantum Chem. 2014, 114 (3), 239. DOI: 10.1002/qua.24559

27. Hô, M.; Navarrete-López, A. M.; Zicovich-Wilson, C. M.; Ramírez-Solís, A.* Electronic Charge Density Analysis of Li-Doped Polyacetylene: Molecular vs Periodic Descriptions and Nature of Li-to-Chain Bonding. J. Phys. Chem. B 2013, 117 (2), 725–730. DOI: 10.1021/jp3106343

2012

26. Ramírez-Solís, A.*; Hô, M.; Hernández-Cobos, J.; Ortega-Blake, I. Theoretical Studies on the Optimal X (OH) 3–H 2 O (X= N, P, Sb) Complexes: Interaction Energies and Topological Analysis of the Electronic Density. Chem. Phys. Lett. 2012, 524, 20–24. DOI: 10.1016/j.cplett.2011.12.044

25. Hô, M.; Hernández‐Lamoneda, R.* Theoretical Study of the Agostic Bond in Me2Al (tBu2pz) 2Li (THF). Int. J. Quantum Chem. 2012, 112 (22), 3630–3636. DOI: 10.1002/qua.24294

24. Cabrera-Rivera, F. A.; Ortíz-Nava, C.; Escalante, J.*; Hernández-Pérez, J. M.; Hô, M. Photoinduced Elimination in 2, 3-Dihydro-2-Tert-Butyl-3-Benzyl-4 (1H)-Quinazolinone: Theoretical Calculations and Radical Trapping Using TEMPO Derivatives. Synlett 2012, 23 (7), 1057–1063. DOI: 10.1055/s-0031-1290492

23. Hô, M.*, Hernández – Perez, J.* Evaluation of Gaussian Molecular Integrals, I. Overlap Integrals. The Mathematica Journal, 2012, (14). Online

2011

22. Ramírez-Solís, A.*; Ho, M.; Hernández-Cobos, J.; Ortega-Blake, I. Theoretical Study of the Optimal As (OH) 3–H 2 O Complex: Interaction Energy and Topological Analysis of the Electronic Density. Comput. Theor. Chem. 2011, 967 (1), 44–49. DOI: 10.1016/j.comptc.2011.03.039

2008

21. Sagar, R. P.*; Hô, M. Shannon Entropies of Atomic Basins and Electron Correlation Effects. J. Mex. Chem. Soc. 2008, 52 (1), 60–66. Online

20. Rojas-Cabrera, H.; Hernández-Pérez, J. M.; Hô, M.; Hernández-Fernández, E.; Ordóñez, M.* A Practical Synthesis of Syn-and Anti-Α, β-Dihydroxyphosphinates via Diastereoselective Reduction of α-Phosphinoyl Ketones. Tetrahedron: Asymmetry 2008, 19 (2), 161–166. DOI: 10.1016/j.tetasy.2007.12.016

2007

19. Ho, M.; Hernández-Peréz, J. M.; Diercksen, G. H. F. Discretized Born Solvent Field. a Study of Physical Parameters. In Beyond Standard Quantum Chemistry: Applications from Gas to Condensed Phases; Transworld Research Network, 2007; pp 107–116. 

2006

18. Cortes-Llamas, S. A.; Hernández-Pérez, J. M.; Hô, M.; Muñoz-Hernández, M.-Á.* Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π-π Interactions in the Solid State. Organometallics 2006, 25 (3), 588–595. DOI: 10.1021/om0506421

2002

17. Sagar, R. P.; Ramı́rez, J. C.; Esquivel, R. O.; Hô, M.; Smith Jr, V. H. Relationships between Jaynes Entropy of the One-Particle Density Matrix and Shannon Entropy of the Electron Densities. J. Chem. Phys. 2002, 116 (21), 9213–9221. DOI: 10.1063/1.1473806

2001

16. Sagar, R. P.; Ramírez, J. C.; Esquivel, R. O.; Hô, M.; Smith Jr, V. H. Shannon Entropies and Logarithmic Mean Excitation Energies from Cusp-and Asymptotic-Constrained Model Densities. Phys. Rev. A 2001, 63 (2), 22509. DOI: 10.1103/PhysRevA.63.022509

15. Hô, M.; Smith Jr, V. H.; Sagar, R. P.; Esqivel, R. O. Asymptotic Behaviour of the Ratio of Density Gradient to Electron Density for Atomic Systems. Mol. Phys. 2001, 99 (20), 1727–1728. DOI: 10.1080/00268970110051695

14. Ho, M.; Szarek, W. A.; Smith Jr, V. H.* Theoretical Studies of Unusually Short Bond Lengths in Oxirane and Derivatives. J. Mol. Struct. THEOCHEM 2001, 537 (1), 253–264. DOI: 10.1016/S0166-1280(00)00682-5

2000

13. Hô, M.; Schmider, H. L.; Weaver, D. F.; Smith, V. H.*; Sagar, R. P.; Esquivel, R. O. Shannon Entropy of Chemical Changes: SN2 Displacement Reactions. Int. J. Quantum Chem. 2000, 77 (1), 376–382. DOI: 10.1002/(SICI)1097-461X(2000)77:1<376::AID-QUA37>3.0.CO;2-3

12. Hô, M.; Clark, B. J.; Smith Jr, V. H.; Weaver, D. F.; Gatti, C.; Sagar, R. P.; Esquivel, R. O. Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation-Shannon Information Entropies of Molecules and Functional Groups in the Self-Consistent Reaction. J. Chem. Phys. 2000, 112 (17), 7572–7580. 

1999

11. Ziesche, P.; Smith Jr, V. H.; Hô, M.; Rudin, S. P.; Gersdorf, P.; Taut, M. The He Isoelectronic Series and the Hooke’s Law Model: Correlation Measures and Modifications of Collins’ Conjecture. J. Chem. Phys. 1999, 110 (13), 6135–6142. DOI: 10.1063/1.478560

10. Milne, P.; Hô, M.; Weaver, D. F.* Interaction of Anticonvulsant Drugs with Metals: A Semi-Empirical Molecular Orbital Study of Phenytoin–zinc (II) Complexation. J. Mol. Struct. THEOCHEM 1999, 492 (1), 19–28. DOI: 10.1016/S0166-1280(98)00601-0

1998

9. Ramírez, J. C.; Pérez, J. M. H.; Sagar, R. P.; Esquivel, R. O.; Hô, M.; Smith, V. H. Amount of Information Present in the One-Particle Density Matrix and the Charge Density. Phys. Rev. A 1998, 58 (5), 3507. DOI: 10.1103/PhysRevA.58.3507

1997

8. Ramírez, J. C.*; Soriano, C.; Esquivel, R. O.; Sagar, R. P.; Ho, M.; Smith, V. H. Jaynes Information Entropy of Small Molecules: Numerical Evidence of the Collins Conjecture. Phys. Rev. A 1997, 56 (6), 4477. DOI: 10.1103/PhysRevA.56.4477

1996

7. Schmider, H.*; Ho, M. Molecular Networks in Position, Momentum, and Phase Space: A Case Study on Simple Hydrocarbons. J. Phys. Chem. 1996, 100 (45), 17807–17819. DOI: 10.1021/jp9618791

6. Esquivel, R. O.; Rodríguez, A. L.; Sagar, R. P.; Hô, M.; Smith Jr, V. H. Physical Interpretation of Information Entropy: Numerical Evidence of the Collins Conjecture. Phys. Rev. A 1996, 54 (1), 259. DOI: 10.1103/PhysRevA.54.259

1995

5. Hô, M.; Sagar, R. P.; Weaver, D. F.; Smith, V. H. An Investigation of the Dependence of Shannon Information Entropies and Distance Measures on Molecular Geometry. Int. J. Quantum Chem. 1995, 56 (S29), 109–115. DOI: 10.1002/qua.560560811

4. Hô, M.; Sagar, R. P.; Schmider, H.; Weaver, D. F.; Smith, V. H. Measures of Distance for Atomic Charge and Momentum Densities and Their Relationship to Physical Properties. Int. J. Quantum Chem. 1995, 53 (6), 627–633. DOI: 10.1002/qua.560530606

1994

3. Ho, M.*; Schmider, H.; Edgecombe, K. E. Topological Analysis of Valence Electron Charge Distributions from Semiempirical and Ab Initio Methods. 

OT^ HaCrriTi 1994. Online

2. Hô, M.; Sagar, R. P.; Smith Jr, V. H.; Esquivel, R. O. Atomic Information Entropies beyond the Hartree-Fock Limit. J. Phys. B At. Mol. Opt. Phys. 1994, 27 (21), 5149. DOI: 10.1088/0953-4075/27/21/009

1. Hô, M.; Sagar, R. P.; Pérez-Jordá, J. M.; Smith, V. H.; Esquivel, R. O. A Numerical Study of Molecular Information Entropies. Chem. Phys. Lett. 1994, 219 (1–2), 15–20. DOI: 10.1016/0009-2614(94)00029-8

1. Erick Avelar