The He isoelectronic series and the Hooke’s law model: Correlation measures and modifications of Collins’ conjecture P Ziesche, VH Smith Jr, M Hô, SP Rudin, P Gersdorf, M Taut The Journal of chemical physics 110 (13), 6135-6142, 1999 | 80 | 1999 |
Physical interpretation of information entropy: numerical evidence of the Collins conjecture RO Esquivel, AL Rodríguez, RP Sagar, M Hô, VH Smith Jr Physical Review A 54 (1), 259, 1996 | 76 | 1996 |
A numerical study of molecular information entropies M Hô, RP Sagar, JM Pérez-Jordá, VH Smith Jr, RO Esquivel Chemical physics letters 219 (1-2), 15-20, 1994 | 61 | 1994 |
Jaynes information entropy of small molecules: numerical evidence of the Collins conjecture JC Ramírez, C Soriano, RO Esquivel, RP Sagar, M Hô, VH Smith Physical Review A 56 (6), 4477, 1997 | 52 | 1997 |
Atomic information entropies beyond the Hartree-Fock limit M Hô, RP Sagar, VH Smith Jr, RO Esquivel Journal of Physics B: Atomic, Molecular and Optical Physics 27 (21), 5149, 1994 | 45 | 1994 |
Shannon entropy of chemical changes: SN2 displacement reactions M Hô, HL Schmider, DF Weaver, VH Smith Jr, RP Sagar, RO Esquivel International Journal of Quantum Chemistry 77 (1), 376-382, 2000 | 43 | 2000 |
Amount of information present in the one-particle density matrix and the charge density JC Ramírez, JMH Pérez, RP Sagar, RO Esquivel, M Hô, VH Smith Physical Review A 58 (5), 3507, 1998 | 32 | 1998 |
Shannon entropies and logarithmic mean excitation energies from cusp-and asymptotic-constrained model densities RP Sagar, JC Ramírez, RO Esquivel, M Hô, VH Smith Jr Physical Review A 63 (2), 022509, 2001 | 30 | 2001 |
Measures of distance for atomic charge and momentum densities and their relationship to physical properties M Hô, RP Sagar, H Schmider, DF Weaver, VH Smith Jr International Journal of Quantum Chemistry 53 (6), 627-633, 1995 | 30 | 1995 |
An investigation of the dependence of Shannon information entropies and distance measures on molecular geometry M Hô, RP Sagar, DF Weaver, VH Smith Jr International Journal of Quantum Chemistry 56 (S29), 109-115, 1995 | 27 | 1995 |
Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π− π Interactions in the Solid State SA Cortes-Llamas, JM Hernández-Pérez, M Hô, MÁ Muñoz-Hernández Organometallics 25 (3), 588-595, 2006 | 25 | 2006 |
Relationships between Jaynes entropy of the one-particle density matrix and Shannon entropy of the electron densities RP Sagar, JC Ramı́rez, RO Esquivel, M Hô, VH Smith Jr The Journal of chemical physics 116 (21), 9213-9221, 2002 | 25 | 2002 |
Hirshfeld-I charges in linear combination of atomic orbitals periodic calculations CM Zicovich-Wilson, M Hô, AM Navarrete-López, S Casassa Theoretical Chemistry Accounts 135, 1-13, 2016 | 23 | 2016 |
Interaction of anticonvulsant drugs with metals: a semi-empirical molecular orbital study of phenytoin–zinc (II) complexation P Milne, M Hô, DF Weaver Journal of Molecular Structure: THEOCHEM 492 (1-3), 19-28, 1999 | 23 | 1999 |
Photoinduced elimination in 2, 3-dihydro-2-tert-butyl-3-benzyl-4 (1H)-quinazolinone: Theoretical calculations and radical trapping using TEMPO derivatives FA Cabrera-Rivera, C Ortíz-Nava, J Escalante, JM Hernández-Pérez, ... Synlett 23 (07), 1057-1063, 2012 | 21 | 2012 |
Shannon entropies of atomic basins and electron correlation effects RP Sagar, M Hô Journal of the Mexican Chemical Society 52 (1), 60-66, 2008 | 15 | 2008 |
Theoretical determination of half-wave potentials for phenanthroline-, bipyridine-, acetylacetonate-, and glycinate-containing copper (II) complexes JR Valdéz-Camacho, A Ramírez-Solís, J Escalante, L Ruiz-Azuara, M Hô Journal of Molecular Modeling 26, 1-13, 2020 | 8 | 2020 |
Evaluation of Gaussian Molecular Integrals I M Hô, JM Hernández-Pérez The Mathematica Journal 14 (3), 2012 | 8 | 2012 |
A practical synthesis of syn-and anti-α, β-dihydroxyphosphinates via diastereoselective reduction of α-phosphinoyl ketones H Rojas-Cabrera, JM Hernández-Pérez, M Hô, E Hernández-Fernández, ... Tetrahedron: Asymmetry 19 (2), 161-166, 2008 | 8 | 2008 |
Molecular networks in position, momentum, and phase space: A case study on simple hydrocarbons H Schmider, M Hô The Journal of Physical Chemistry 100 (45), 17807-17819, 1996 | 8 | 1996 |