Institute Carlos I for Theoretical and Computational Physics | Universidad de Granada

Rodolfo Octavio Esquivel

Catedrático de Universidad
Universidad Autónoma de México

Last 5 years publications

  • Lopz-Rosa, Sheila, Molina-Espiritu, Moyocoyani, Esquivel, Rodolfo O., Soriano-Correa, Catalina & Dehesa, Jesus S. Study of the Chemical Space of Selected Bacteriostatic Sulfonamides from an Information Theory Point of View CHEMPHYSCHEM volume 17 issue 23 pages 4003-4010 (DEC 2016) DOI: 10.1002/cphc.201600790
  • Esquivel, R. O., Lopez-Rosa, S., Molina-Espiritu, M., Angulo, J. C. & Dehesa, J. S. Information-theoretic space from simple atomic and molecular systems to biological and pharmacological molecules THEORETICAL CHEMISTRY ACCOUNTS volume 135 issue 11 (OCT 22 2016) DOI: 10.1007/s00214-016-2002-x
  • Toranzo, I. V., Lopez-Rosa, S., Esquivel, R. O. & Dehesa, J. S. Extremum-entrop y-based Heisenberg-like uncertainty relations JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL volume 49 issue 2 (JAN 2016) DOI: 10.1088/1751-8113/49/2/025301
  • Molina-Espiritu, M., Esquivel, R. O., Lopez-Rosa, S. & Dehesa, J. S. Quantum Entanglement and Chemical Reactivity JOURNAL OF CHEMICAL THEORY AND COMPUTATION volume 11 issue 11 pages 5144-5151 (NOV 2015) DOI: 10.1021/acs.jctc.5b00390
  • Esquivel, Rodolfo O., Molina-Espiritu, Moyocoyani, Plastino, A. R. & Dehesa, Jesus S. Quantum information from selected elementary chemical reactions: Maximum entangled transition state INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY volume 115 issue 19 pages 1417-1430 (OCT 5 2015) DOI: 10.1002/qua.24926
  • Lopez-Rosa, S., Esquivel, R. O., Plastino, A. R. & Dehesa, J. S. Quantum entanglement of helium-like systems with varying-Z: compact state-of-the-art CI wave functions JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS volume 48 issue 17 (SEP 14 2015) DOI: 10.1088/0953-4075/48/17/175002
  • Esquivel, Rodolfo O., Molina-Espiritu, Moyocoyani, Lopez-Rosa, Sheila, Soriano-Correa, Catalina, Barrientos-Salcedo, Carolina, Kohout, Miroslav & Dehesa, Jesus S. Predominant Information Quality Scheme for the Essential Amino Acids: An Information-Theoretical Analysis CHEMPHYSCHEM volume 16 issue 12 pages 2571-2581 (AUG 24 2015) DOI: 10.1002/cphc.201500282
  • Soriano-Correa, Catalina, Barrientos-Salcedo, Carolina, Campos-Fernandez, Linda, Alvarado-Salazar, Andres & Esquivel, Rodolfo O. Importance of asparagine on the conformational stability and chemical reactivity of selected anti-inflammatory peptides CHEMICAL PHYSICS volume 457 pages 180-187 (AUG 18 2015) DOI: 10.1016/j.chemphys.2015.06.005
  • Esquivel, R. O., Lopez-Rosa, S. & Dehesa, J. S. Correlation energy as a measure of non-locality: Quantum entanglement of helium-like systems EPL volume 111 issue 4 (AUG 2015) DOI: 10.1209/0295-5075/111/40009
  • Toranzo, I. V., Lopez-Rosa, S., Esquivel, R. O. & Dehesa, J. S. Heisenberg-like and Fisher-information-based uncertainty relations for N-electron d-dimensional systems PHYSICAL REVIEW A volume 91 issue 6 (JUN 19 2015) DOI: 10.1103/PhysRevA.91.062122
  • Toranzo, I. V., Sanchez-Moreno, P., Esquivel, R. O. & Dehesa, J. S. Pauli effects in uncertainty relations CHEMICAL PHYSICS LETTERS volume 614 pages 1-4 (OCT 20 2014) DOI: 10.1016/j.cplett.2014.08.064
  • Molina-Espiritu, Moyocoyani, Esquivel, Rodolfo O., Kohout, Miroslav, Carlos Angulo, Juan, Dobado, Jose A., Dehesa, Jesus S., LopezRosa, Sheila & Soriano-Correa, Catalina Insight into the informational-structure behavior of the Diels-Alder reaction of cyclopentadiene and maleic anhydride JOURNAL OF MOLECULAR MODELING volume 20 issue 8 (AUG 2014) DOI: 10.1007/s00894-014-2361-y
  • Soriano-Correa, Catalina, Raya, Angelica, Barrientos-Salcedo, Carolina & Esquivel, Rodolfo O. Influence of the physicochemical and aromatic properties on the chemical reactivity and its relation with carcinogenic and anticoagulant effect of 17 beta-aminoestrogens CHEMICAL PHYSICS volume 438 pages 48-59 (JUN 25 2014) DOI: 10.1016/j.chemphys.2014.04.012
  • Molina-Espiritu, Moyocoyani, Esquivel, Rodolfo O., Carlos Angulo, Juan, Antolin, Juan, Iuga, Cristina & Dehesa, Jesus S. Information-Theoretical Analysis for the S(N)2 Exchange Reaction CH3Cl + F- INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY volume 113 issue 24 pages 2589-2599 (DEC 15 2013) DOI: 10.1002/qua.24510
  • Molina-Espiritu, Moyocoyani, Esquivel, Rodolfo O., Carlos Angulo, Juan & Dehesa, Jesus S. Concurrent Phenomena at the Reaction Path of the S(N)2 Reaction CH3Cl + F-. Information Planes and Statistical Complexity Analysis ENTROPY volume 15 issue 10 pages 4084-4104 (OCT 2013) DOI: 10.3390/e15104084