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Results: 1-7 |
Results: 7
Shannon entropies and logarithmic mean excitation energies from cusp- and asymptotic-constrained model densities - art. no. 022509
Authors: Sagar, RP Ramirez, JC Esquivel, RO Ho, M Smith, VH
Citation: Rp. Sagar et al., Shannon entropies and logarithmic mean excitation energies from cusp- and asymptotic-constrained model densities - art. no. 022509, PHYS REV A, 6302(2), 2001, pp. 2509
Asymptotic behaviour of the ratio of density gradient to electron density for atomic systems
Authors: Ho, MH Smith, VH Sagar, RP Esqivel, RO
Citation: Mh. Ho et al., Asymptotic behaviour of the ratio of density gradient to electron density for atomic systems, MOLEC PHYS, 99(20), 2001, pp. 1727-1728
Pseudoconvexity of the atomic electron density: A numerical study (vol 47,pg 4735, 1993) - art. no. 019901
Authors: Esquivel, RO Sagar, RP Smith, VH Chen, JQ Stott, MJ
Citation: Ro. Esquivel et al., Pseudoconvexity of the atomic electron density: A numerical study (vol 47,pg 4735, 1993) - art. no. 019901, PHYS REV A, 6001(1), 2000, pp. 9901-9901
Calculations ab initio of anti-leprosy agents by comparing their structural and physico-chemical properties with a set of analogous compounds
Authors: Soriano, C Esquivel, RO Sagar, RP
Citation: C. Soriano et al., Calculations ab initio of anti-leprosy agents by comparing their structural and physico-chemical properties with a set of analogous compounds, REV MEX FIS, 46, 2000, pp. 108-112
Shannon information entropies of molecules and functional groups in the self-consistent reaction field
Authors: Ho, M Clark, BJ Smith, VH Weaver, DF Gatti, C Sagar, RP Esquivel, RO
Citation: M. Ho et al., Shannon information entropies of molecules and functional groups in the self-consistent reaction field, J CHEM PHYS, 112(17), 2000, pp. 7572-7580
Shannon entropy of chemical changes: S(N)2 displacement reactions
Authors: Ho, M Schmider, HL Weaver, DF Smith, VH Sagar, RP Esquivel, RO
Citation: M. Ho et al., Shannon entropy of chemical changes: S(N)2 displacement reactions, INT J QUANT, 77(1), 2000, pp. 376-382
An information-entropic study of correlated densities of the water molecule
Authors: Ho, M Weaver, DF Smith, VH Sagar, RP Esquivel, RO Yamamoto, S
Citation: M. Ho et al., An information-entropic study of correlated densities of the water molecule, J CHEM PHYS, 109(24), 1998, pp. 10620-10627
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