LIST OF ARTICLES IN INTERNATIONAL RESEARCH

JOURNALS, PROCEEDINGS AND BOOKS

(Updated: March 15, 2018)

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PERIODIC JOURNALS

• Improved lower bounds for the atomic charge density at the nucleus.

  F.J. Gálvez, I. Porras, J.C. Angulo and J.S. Dehesa.

  Journal of Physics B 21 (1988) L271-L274.

• Atomic-charge convexity and the electron density at the nucleus.

  J.C. Angulo, J.S. Dehesa and F.J. Gálvez.

  Physical Review A 42 (1990) 641-644; erratum 43 (1991) 4069-4070.

• New bounds for the atomic charge and momentum densities at the origin.

  J.C. Angulo, J.S. Dehesa and F.J. Gálvez.

  Zeitschrift für Physik D 18 (1991) 127-130.

• Atomic-charge log-convexity and radial expectation values.

  J.C. Angulo and J.S. Dehesa.

  Journal of Physics B 24 (1991) L299-L306.

• Atomic systems with a completely monotonic electron density.

  J.C. Angulo and J.S. Dehesa

  Physical Review A 44 (1991) 1516-1522.

• Tight rigorous bounds to atomic information entropies.

  J.C. Angulo and J.S. Dehesa

  Journal of Chemical Physics 97 (1992) 6485-6495; erratum 98 (1993) 1.

• The electron-pair density of atomic systems. Rigorous bounds and application to helium.

  J.S. Dehesa, J.C. Angulo and T. Koga.

  Zeitschrift für Physik D 25 (1992) 3-8.

• Study of some interelectronic properties in helium-like ions.

  J.S. Dehesa, J.C. Angulo, T. Koga and K. Matsui.

  Zeitschrift für Physik D 25 (1992) 9-16.

• Charge monotonicity of atomic systems and radial expectation values.

  J.C. Angulo and J.S. Dehesa.

  Zeitschrift für Physik D 25 (1993) 287-293.

• Bounds to the central electron-pair density with applications to two-electron atoms.

  J.S. Dehesa, J.C. Angulo, T. Koga and K. Matsui.

  Physical Review A 47 (1993) 5202-5205.

• Interelectronic moments of atomic systems.

  J.S. Dehesa, J.C. Angulo, T. Koga and Y. Kasai.

  Physical Review A 48 (1993) 832-835.

• Rigorous bounds to the atomic ionization potential.

  J.C. Angulo, J. Antolín and A. Zarzo.

  Journal of Physics B 26 (1993) L431-L435.

• Electron-pair logarithmic convexity and interelectronic moments in atoms: application to heliumlike ions.

  T. Koga, Y. Kasai, J.S. Dehesa and J.C. Angulo.

  Physical Review A 48 (1993) 2457-2460.

• Uncertainty relationships in many-body systems.

  J.C. Angulo.

  Journal of Physics A 26 (1993) 6493-6497.

• Upper and lower bounds on the radial electron density in atoms.

  J. Antolín, A. Zarzo and J.C. Angulo.

  Physical Review A 48 (1993) 4149-4155.

• Momentum unimodality effects in atomic systems.

  J.C. Angulo.

  Physical Review A 48 (1993) 4768-4770.

• Compton profiles and momentum space inequalities.

  J.C. Angulo, J. Antolín and A. Zarzo.

  Zeitschrift für Physik D 28 (1993) 269-273.

• A study of the atomic momentum density by means of radial expectation values.

  A. Zarzo, J.C. Angulo and J. Antolín.

  Journal of Physics B 26 (1993) 4663-4669.

• Nonconvexity of the atomic charge density and shell structure.

  J.C. Angulo, H. Schmider, R.P. Sagar and V.H. Smith Jr.

  Physical Review A 49 (1994) 726-728.

• Electron-electron coalescence and interelectronic log-moments in atomic systems.

  T. Koga, J.C. Angulo and J.S. Dehesa.

  Proceedings of the Indian Academy of Sciences (Chemical Sciences) 106 (1994) 123-132.

• Maximum-entropy analysis of the electron-pair density in many-electron systems.

  J. Antolín, A. Zarzo and J.C. Angulo.

  Physical Review A 50 (1994) 240-246.

• Validity of the electron-electron cusp condition.

  K. Burke, J.C. Angulo and J.P. Perdew.

  Physical Review A 50 (1994) 297-304.

• Information entropy and uncertainty in D-dimensional many-body systems.

  J.C. Angulo.

  Physical Review A 50 (1994) 311-313.

• Bounds to some local electron-pair properties with application to two-electron ions.

  J.S. Dehesa, J.C. Angulo, T. Koga and Y. Kasai.

  Physical Review A 50 (1994) 857-860.

• Information entropies of many-electron systems.

  R.J. Yáñez, J.C. Angulo and J.S. Dehesa.

  International Journal of Quantum Chemistry 56 (1995) 489-498.

• Maximum-entropy analysis of atomic Compton profiles.

  J.C. Angulo, R.J. Yáñez, J. Antolín and A. Zarzo.

  International Journal of Quantum Chemistry 56 (1995) 747-752.

• Monotonicity properties of the atomic charge density function.

  J.C. Angulo, R.J. Yáñez, J.S. Dehesa and E. Romera.

  International Journal of Quantum Chemistry 58 (1996) 11-21.

• Maximum-entropy analysis of one-particle densities in atoms.

  A. Zarzo, J.C. Angulo, J. Antolín and R.J. Yáñez.

  Zeitschrift für Physik D 37 (1996) 295-299.

• Reciprocal form factors from momentum density magnitudes.

  J. Antolín, J.C. Cuchí, A. Zarzo and J.C. Angulo.

  Journal of Physics B 29 (1996) 5629-5635.

• Maximum-entropy analysis of momentum densities in diatomic molecules.

  J. Antolín, A. Zarzo, J.C. Angulo and J.C. Cuchí.

  International Journal of Quantum Chemistry 61 (1997) 77-83.

• Maximum-entropy and Padé-like approximations to atomic scattering factors.

  A. Zarzo, J.C. Angulo, J.C. Cuchí and J. Antolín.

  Zeitschrift für Physik D 41 (1997) 175-179.

• Tight approximations to total scattering intensities from electron-pair density quantities.

  J.C. Cuchí, J. Antolín, A. Zarzo and J.C. Angulo.

  Physics Letters A 230 (1997) 324-329.

• Improved upper bounds for the atomic ionization potential.

  J.C. Angulo and E. Romera.

  International Journal of Quantum Chemistry 71 (1999) 185-189; erratum 73 (1999) 519.

• Minimum-cross-entropy estimation of atomic charge densities from scattering factors.

  J. Antolín, J.C. Cuchí and J.C. Angulo.

  Journal of Physics B 32 (1999) 577-586.

• Fisher entropy and uncertainty-like relationships in many-body systems.

  E. Romera, J.C. Angulo and J.S. Dehesa.

  Physical Review A 59 (1999) 4064-4067.

• Minimum-cross-entropy estimation of electron-pair densities from scattering intensities.

  J. Antolín, J.C. Cuchí and J.C. Angulo.

  Physics Letters A 260 (1999) 247-252

• Maximum-entropy technique with logarithmic constraints: estimation of atomic radial densities.

  J.C. Angulo, J. Antolín, J.C. Cuchí and A. Zarzo.

  European Physical Journal D 7 (1999) 479-485.

• On the non-convexity of charge densities in atoms and ions.

  J.C. Angulo, T. Koga, E. Romera and J.S. Dehesa.

  Journal of Molecular Structure 501-502 (2000) 177-182.

• Inverse atomic densities and inequalities among density functionals.

  J.C. Angulo, E. Romera and J.S. Dehesa.

  Journal of Mathematical Physics 41 (2000) 7906-7917.

• Upper bounds to atomic electron densities in position and momentum spaces.

  E. Romera, T. Koga, J.C. Angulo and J.S. Dehesa.

  Journal of Mathematical Chemistry 28 (2000) 341-351.

• The Haussdorf entropic moment problem.

  E. Romera, J.C. Angulo and J.S. Dehesa.

  Journal of Mathematical Physics 42 (2001) 2309-2314;erratum 44 (2003) 2354.

• Minimum-cross-entropy estimation of internally folded densities from Compton profiles.

  J. Antolín, J.C. Cuchí and J.C. Angulo.

  International Journal of Quantum Chemistry 87 (2002) 214-219.

• Reconstruction of atomic effective potentials from isotropic scattering factors.

  E. Romera, J.J. Torres and J.C. Angulo.

  Physical Review A 65 (2002) 024502(1-4).

• Structural properties of reciprocal form factor in neutral atoms and singly charged ions.

  E. Romera and J.C. Angulo.

  Journal of Chemical Physics 120 (2004) 7369-7373.

• Bare Coulomb field and atomic reciprocal form factor.

  J.C. Angulo and E. Romera.

  International Journal of Quantum Chemistry 106 (2006) 485-489.

• Atomic quantum similarity indices in position and momentum spaces.

  J.C. Angulo and J. Antolín.

  Journal of Chemical Physics 126 (2007) 044106(1-5).

• Fisher-Shannon analysis of ionization processes and isoelectronic series.

  K.D. Sen, J. Antolín and J.C. Angulo.

  Physical Review A 76 (2007) 032502(1-7).

• Fisher-Shannon plane and statistical complexity of atoms.

  J.C. Angulo, J. Antolín and K.D. Sen.

  Physics Letters A 372 (2008) 670-674.

• Quantum similarity indices for atomic ionization processes.

  J. Antolín and J.C. Angulo.

  European Physical Journal D 46 (2008) 21-26.

• Existence conditions and spreading properties of extreme entropy D-dimensional distributions.

  S. López-Rosa, J.C. Angulo, J.S. Dehesa and R.J. Yáñez.

  Physica A 387 (2008) 2243-2255; erratum 387 (2008) 4729-4730.

• Atomic complexity measures in position and momentum spaces.

  J.C. Angulo and J. Antolín.

  Journal of Chemical Physics 128 (2008) 164109(1-7).

• Complexity analysis of ionization processes and isoelectronic series.

  J. Antolín and J.C. Angulo.

  International Journal of Quantum Chemistry 109 (2009) 586-593.

• Spreading measures of information-extremizer distributions: applications to atomic electron densitites in position and momentum spaces.

  S. López-Rosa, J.C. Angulo and J.S. Dehesa.

  European Physical Journal D 51 (2009) 321-329.

• Fisher and Jensen-Shannon Divergences: quantitative comparisons among distributions. Application to position and momentum atomic densities.

  J. Antolín, J.C. Angulo and S. López-Rosa.

  Journal of Chemical Physics 130 (2009) 074110(1-8).

• Rigorous properties and uncertainty-like relationships on product-complexity measures: application to atomic systems.

  S. López-Rosa, J.C. Angulo and J. Antolín.

  Physica A 388 (2009) 2081-2091.

• Theoretic-information entropies analysis of nanostructures: ab initio study of PAMAM precursors and dendrimers G0 to G3.

  R.O. Esquivel, N. Flores-Gallegos, E. Carrera, J.S. Dehesa, J.C. Angulo, J. Antolín and C. Soriano Correa.

  Molecular Simulation 35 (2009) 498-511.

• Renyi complexities and information planes: atomic structure in conjugated spaces.

  J. Antolín, S. López-Rosa and J.C. Angulo.

  Chemical Physics Letters 474 (2009) 233-237.

• Divergence analysis of atomic ionization processes and isoelectronic series.

  S. López-Rosa, J. Antolín, J.C. Angulo and R.O. Esquivel.

  Physical Review A 80 (2009) 012505(1-9).

• Phenomenological description of the transition state, and the bond breaking and bond forming processes of selected elementary chemical reactions: an information-theoretic study.

  R.O. Esquivel, N. Flores-Gallegos, C. Iuga, E. Carrera, J.C. Angulo and J. Antolín.

  Theoretical Chemistry Accounts 124 (2009) 445-460.

• Jensen-Shannon Divergence in conjugated spaces: entropy excess of atomic systems and sets with respect to their constituents.

  J.C. Angulo, J. Antolín, S. López-Rosa and R.O. Esquivel .

  Physica A 389 (2010) 899-907.

• Fisher information study in position and momentum spaces for elementary chemical reactions.

  S. López-Rosa, R.O. Esquivel, J.C. Angulo, J. Antolín, J.S. Dehesa and N. Flores-Gallegos.

  Journal of Chemical Theory and Computation 6 (2010) 145-154.

• Phenomenological description of selected elementary chemical reaction mechanisms: an information-theoretic study.

  R.O. Esquivel, N. Flores-Gallegos, C. Iuga, E. Carrera, J.C. Angulo and J. Antolín.

  Physics Letters A 374 (2010) 948-951.

• Jensen-Tsallis Divergence and atomic dissimilarity for position and momentum space atomic densities.

  J. Antolín, S. López-Rosa, J.C. Angulo and R.O. Esquivel .

  Journal of Chemical Physics 132 (2010) 044105(1-7).

  Selected for the Virtual Journal of Quantum Information, Vol. 10, issue 2 (February 2010).

• Phenomenological description of a three center insertion reaction: an information-theoretic study.

  R.O. Esquivel, N. Flores-Gallegos, J.S. Dehesa, J.C. Angulo, J. Antolín, S. López-Rosa and K.D. Sen.

  Journal of Physical Chemistry A 114 (2010) 1906-1916.

• Effect of the interelectronic repulsion on the information content of position and momentum atomic densities.

  J.C. Angulo, S. López-Rosa and J. Antolín.

  International Journal of Quantum Chemistry 110 (2010) 1738-1747.

• Analysis of complexity measures and information planes of selected molecules in position and momentum spaces.

  R.O. Esquivel, J.C. Angulo, J. Antolín, J.S. Dehesa, S. López-Rosa and N. Flores-Gallegos.

  Physical Chemistry Chemical Physics 12 (2010) 7108-7116.

  (with Electronic Supplementary Information).

• Generalized Jensen divergence of atomic electron densities in conjugated spaces.

  J.C. Angulo, S. López-Rosa, J. Antolín and R.O. Esquivel.

  International Journal of Quantum Chemistry 111 (2011) 297-306.

• Jensen-Tsallis divergence and atomic dissimilarity for ionized systems in conjugated spaces.

  J.C. Angulo, J. Antolín, S. López-Rosa and R.O. Esquivel.

  Physica A 390 (2011) 769-780.

• Entropy and complexity analysis of Dirac delta-like quantum potentials.

  P.A. Bouvrie, J.C. Angulo and J.S. Dehesa.

  Physica A 390 (2011) 2215-2228.

• Generalized quantum similarity index: applications in atoms.

  P.A. Bouvrie, J. Antolin and J.C. Angulo.

  Chemical Physics Letters 506 (2011) 326-331.

• Fisher information and steric effect: a study of the internal rotation barrier of Ethane.

  R.O. Esquivel, S. Liu, J.C. Angulo, J.S. Dehesa, J. Antolin and M. Molina-Espiritu.

  Journal of Physical Chemistry A 115 (2011) 4406-4415.

• Generalized position-momentum uncertainty products: inclusion of moments with negative order. Application in atoms.

  J.C. Angulo.

  Physical Review A 83 (2011) 062102.

• Quantum entanglement and the dissociation process of diatomic molecules.

  R.O. Esquivel, N. Flores-Gallegos, M. Molina-Espíritu. A.R. Plastino, J.C. Angulo, J. Antolín and J.S. Dehesa.

  Journal of Physics B 44 (2011) 175101.

• Geometric Rényi divergence: a comparative measure with applications to atomic densities.

  J. Antolín, P.A. Bouvrie and J.C. Angulo.

  Physical Review A 84 (2011) 032504.

• Information-theoretical complexity for the hydrogenic abstraction reaction.

  R.O. Esquivel, M. Molina-Espíritu. J.C. Angulo, J. Antolín, N. Flores-Gallegos and J.S. Dehesa.

  Molecular Physics 109 (2011) 2353-2365.

• Uncertainty inequalities among frequency moments and radial expectation values: applications to atomic systems.

  J.C. Angulo, P.A. Bouvrie and J. Antolín.

  Journal of Mathematical Physics 53 (2012) 043512.

• Information-theoretical complexity for the hydrogenic abstraction reaction.

  M. Molina-Espíritu. R.O. Esquivel, J.C. Angulo, J. Antolín and J.S. Dehesa.

  Journal of Mathematical Chemistry 50 (2012) 1882-1900.

• A generalized relative complexity: application to atomic one-particle densities.

  P.A. Bouvrie, J.C. Angulo and J. Antolín.

  Chemical Physics Letters 539 (2012) 191-196.

• Concurrent phenomena at the transition region of selected elementary chemical reactions: an information-theoretical complexity analysis.

  R.O. Esquivel, M. Molina-Espíritu, J.S. Dehesa, J.C. Angulo and J. Antolín.

  International Journal of Quantum Chemistry 112 (2012) 3578-3588.

• Fisher-like atomic divergences: Mathematical grounds and physical applications.

  A.L. Martin, J.C. Angulo and J. Antolín.

  Physica A 392 (2013) 5552-5563.

• Concurrent phenomena at the reaction path of the SN2 reaction CH3Cl + F-. Information planes and statistical complexity analysis.

  M. Molina-Espíritu, R.O. Esquivel, J.C. Angulo and J.S. Dehesa.

  Entropy 15 (2013) 4084-4104.

• Information-theoretical analysis for the SN2 exchange reaction CH3Cl + F-.

  M. Molina-Espíritu, R.O. Esquivel, J.C. Angulo, J. Antolín, C. Iuga and J.S. Dehesa.

  International Journal of Quantum Chemistry 113 (2013) 2589-2599.

• A generalized complexity measure based on Rényi entropy.

  P. Sánchez-Moreno, J.C. Angulo and J.S. Dehesa.

  European Physical Journal D 68 (2014) 212.

• Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride.

  M. Molina-Espíritu, R.O. Esquivel, M. Kohout, J.C. Angulo, J.A. Dobado, J.S. Dehesa, S. López-Rosa and C. Soriano-Correa.

  Journal of Molecular Modeling 20 (2014) 2361.

• Relativistic global and local divergences in hydrogenic systems: A study in position and momentum spaces.

  J. Antolín, J.C. Angulo, S. Mulas and S. López-Rosa.

  Physical Review A 90 (2014) 042511.

• Jensen-Shannon and Kullback-Leibler divergences as quantifiers of relativistic effects in neutral atoms.

  A.L. Martín, S. López-Rosa, J.C. Angulo and J. Antolín.

  Chemical Physics Letters 635 (2015) 75-79; erratum 642 (2015) 43.

• Information-theoretic space from simple atomic and molecular systems to biological and pharmacological molecules.

  R.O. Esquivel, S. López-Rosa, M. Molina-Espíritu, J.C. Angulo and J.S. Dehesa.

  Theoretical Chemistry Accounts 135 (2016) 253.

• Generalized quantum similarity in atomic systems: A quantifier of relativistic effects.

  A.L. Martín, J.C. Angulo, J. Antolín and S. López-Rosa.

  Physica A 467 (2017) 315-325.

• An application of information theory to stochastic classical gravitational fields.

  J. Angulo, J.C. Angulo and J.M. Angulo.

  Physica A 499 (2018) 129-141.

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PROCEEDINGS and BOOKS

• Second order magnetic properties of many-electron systems.

  J.S. Dehesa, J.C. Angulo, R.J. Yáñez and E. Romera.

  Proceedings of the '8th International Congress on Quantum Chemistry' (Prague, Czech Republic, June 18-24, 1994). ISBN 0259-9791, Vol. 15.

• Novel atomic charge monotonicity properties.

  J.C. Angulo, J.S. Dehesa, R.J. Yáñez and E. Romera.

  Proceedings of the '8th International Congress on Quantum Chemistry' (Prague, Czech Republic, June 18-24, 1994). ISBN 0259-9791, Vol. 15.

• Reconstruction of a density from its entropic moments.

  E. Romera, J.C. Angulo and J.S. Dehesa.

  Proceedings of the '21st International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering' (Baltimore, USA, August 4-9, 2001). ISBN 0-7354-0063-6, Vol. 167, pp. 449-457.

• The reciprocal form factor of many-electron systems.

  J.C. Angulo.

  Proceedings of the 'International Conference of Computational Methods in Science and Engineering' (Loutraki, Greece, October 21-26, 2005). ISBN 90-6764-443-9, Vol. 4B, pp. 1197-1200.

• Information planes and complexity measures for atomic systems, ionization processes and isoelectronic series.

  J.C. Angulo and J. Antolín.

  Progress in Theoretical Chemistry and Physics (Proceedings of the '13th International Workshop on Quantum Systems in Chemistry and Physics', East Lansing, Michigan, USA, July 6-12, 2008), Vol. 19, pp. 417-434 (2009).

• Atomic and molecular complexities: their physical and chemical interpretations.

  J.C. Angulo, J. Antolín and R.O. Esquivel.

  Chapter in the monograph 'Statistical Complexity: Applications in Electronic Structure', ed. K.D. Sen (Springer, United Kingdom, 2011). ISBN: 978-90-481-3889-0.

• Recent advances towards the nascent science of quantum information chemistry.

  R.O. Esquivel, J.C. Angulo, J.S. Dehesa, J. Antolín, S. López-Rosa, N. Flores-Gallegos, M. Molina-Espíritu and C. Iuga.

  Chapter 8 in 'Information Theory: New Research' (Nova Science Publishers Inc., New York, 2012). ISBN: 978-1-62100-395-3, pp. 207-277.

• Quantum information-theoretical analyses of systems and processes of chemical and nanotechnological interest.

  R.O. Esquivel, E. Carrera, C. Iuga, M. Molina-Espíritu, J.C. Angulo, J.S. Dehesa, S. López-Rosa, J. Antolín and C. Soriano-Correa.

  Chapter 12 in 'Some applications of Quantum Mechanics' (Intech, Rijeka, 2012). ISBN: 9799535100591, pp. 297-334.

• Information-theoretic chemical space for many electron systems: from atoms to biological and pharmacological molecules.

  R.O. Esquivel, S. López-Rosa, M. Molina-Espíritu, C. Soriano-Correa, J.C. Angulo and J.S. Dehesa.

  Chapter 6 in 'Frontiers in computational chemistry', vol. 3, pp. 3-46 (Bentham Science Publishers, 2016). ISBN: 978-1-68108-168-7.