40. In Silico Analysis of the Aromaticity of Some Carbo-Metallabenzenes and Carbo-Dimetallabenzenes (Carbo-mers Proposed from Metallabenzenes)

David Arias-Olivares, Andrés Becerra-Buitrago, Luis Carlos García-Sánchez, Diego V Moreno, Rafael Islas

ACS Omega 2024, 9, 9, 10913–10928

​

39. Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of arachno E6M24−(E= Si, Ge, Sn; M= Sb, Bi)

Rodrigo Báez-Grez, Diego Inostroza, Alejandro Vásquez-Espinal, Rafael Islas, Ricardo Pino-Ríos

RSC Advances 2023 13 (35), 24499-24504

​

38. Core-electron contributions to the molecular magnetic response

Mesías Orozco-Ic, Nickolas D Charistos, Alvaro Muñoz-Castro, Rafael Islas, Dage Sundholm, Gabriel Merino

PCCP 2022, 24 (20) 12158-12166

​

37. Analysis in silico of chemical reactivity employing the local hyper-softness in some classic aromatic compounds, boron aromatic clusters and all-metal aromatic clusters

Jorge I. Martínez-Araya and Rafael Islas

Journal of Computational Chemistry 2022, 43 (1) 29-42

​

36. Metallaborazines: To Be or Not To Be Delocalized

Rafael Islas, David Arias-Olivares, Andrés Becerra-Buitrago, Luis Carlos García-Sánchez, Lya Neftaly Méndez-Ayón, Bernardo Zúñiga-Gutierrez

ACS Omega 2021, 6 (30), 19629–19641

​

35. In Silico Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes

David Arias-Olivares, Andrés Becerra-Buitrago, Luis Carlos García-Sánchez, Rafael Islas

ACS Omega 2021, 6 (14), 9887–9897

​

34. Delocalization in Substituted Benzene Dications: A Magnetic Point of View

Mesías Orozco‐Ic, Jorge Barroso, Rafael Islas, Gabriel Merino

ChemistryOpen 2020, 9 (6), 657

​

33. Analysis of the electronic delocalization in some B12's isoelectronic analogues doped with beryllium and/or carbon

Rafael Islas, Diego Inostroza, David Arias-Olivares, Bernardo Zúñiga-Gutiérrez, Jordi Poater, Miquel Solà

Physical Chemistry Chemical Physics 2020, 22, 12245-12259

​

32. Revisiting the rearrangement of Dewar thiophenes

Sara Gómez, Edison Osorio, Eugenia Dzib, Rafael Islas, Albeiro Restrepo, Gabriel Merino.

Molecules 2020, 25 (2), 284-298.

​

31. Optical and electronic properties of benzopyrylium derivatives. Theoretical-experimental synergy towards novel DSSCs devices

Cristian Tirapegui, Macarena Rojas-Poblete, Ramiro Arratia-Perez, Cristian Linares-Flores, Rafael Islas, Eduardo Schott, Raul Guajardo-Maturana.

Dyes and Pigments, 2019, 161, 370-381

​

30. Simple and Rapid One‐Step Electrochemical Synthesis of Nanogranular Cu2O Films

Diego P. Oyarzún, M. I. Broens, O. E. Linarez-Pérez, M. López-Teijelo, Rafael Islas, Ramiro Arratia-Pérez

ChemistrySelect, 2018, 3 (30), 8610-8614

​

29. Analysis of the aromaticity in extended systems formed from isoelectronic Al4(2−) and C4(2+) aromatic clusters

Rafael Islas, Diego P. Oyarzún, Plinio Cantero-López

Structural Chemistry, 2018, 29 (15), 1383-1395

​

28. The role of Cr, Mo and W in the electronic delocalization and the metal–ring interaction in metallocene complexes

David Arias-Olivares, Dayán Páez-Hernández, Rafael Islas

New Journal of Chemistry, 2018, 42 (7), 5334-5344

​

27. Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues

Alejandro Vásquez-Espinal, Jordi Poater, Miquel Solà, William Tiznado, Rafael Islas.

New Journal of Chemistry, 2017, 41 (3), 1168-1178

​

26. Boron avoids cycloalkane-like strucutres in the LinBnH2n

Alejandro Vásquez-Espinal, Juan Torres-Vega, Luis Alvarez-Thon, Patricio Fuentealba, Rafael Islas, William Tiznado

New Journal of Chemistry, 2016, 40, 2007-2013

​

25.  Dynamical behavior of Borospherene: A Nanobubble

Gerardo Martínez-Guajardo, José Luis Cabellos, Andres Díaz-Celaya, Sudip Pan, Rafael Islas, Pratim K Chattaraj, Thomas Heine, Gabriel Merino

Scientific reports, 2015, 5, 11287. DOI:: 10.1038/srep11287

​

24. Li7(BH)5+: a new thermodynamically favored star-shaped molecule

Juan J Torres-Vega, Alejandro Vásquez-Espinal, Maria J Beltran, Lina Ruiz, Rafael Islas, William Tiznado

Physical Chemistry Chemical Physics, 2015, 17 (29), 19602-19606

 

23. Planar tetracoordinate carbons with a double bond in CAl3E clusters

Zhong-hua Cui, Yi-hong Ding, José Luis Cabellos, Edison Osorio, Rafael Islas, Albeiro Restrepo, Gabriel Merino

Physical Chemistry Chemical Physics, 2015, 17 (14), 8769-8775

 

22. Planar pentacoordinate carbons in CBe5(4−) derivatives

Rafael Grande-Aztatzi, José Luis Cabellos, Rafael Islas, Ivan Infante, José M Mercero, Albeiro Restrepo, Gabriel Merino

Physical Chemistry Chemical Physics, 2015, 17 (6), 4620-4624

 

21. The inorganic analogues of carbo-benzene

Said Jalife, Martha Audiffred, Rafael Islas, Sigfrido Escalante, Sudip Pan, Pratim K Chattaraj, Gabriel Merino

Chemical Physics Letters, 2014, 610-611, 209-211

 

20. Carbo-Cages: A Computational Study

Jon M Azpiroz, Rafael Islas, Diego Moreno, María A Fernández-Herrera, Sudip Pan, Pratim K Chattaraj, Gerardo Martínez-Guajardo, Jesus M Ugalde, Gabriel Merino

The Journal of organic chemistry, 2014, 79 (12), 5463-5470

 

19. Analysis of the aromaticity of five-membered heterometallacycles containing Os, Ru, Rh, and Ir

Rafael Islas, Jordi Poater, Miquel Solà

Organometallics, 2014, 33 (7), 1762-1773

 

18. Stop rotating! One substitution halts the B19(-) motor

Francisco Cervantes-Navarro, Gerardo Martínez-Guajardo, Edison Osorio, Diego Moreno, William Tiznado, Rafael Islas, Kelling J Donald,

Gabriel Merino

Chemical Communications, 2014, 50 (73), 10680-10682

 

17. B18(2−): a quasi-planar bowl member of the Wankel motor family

Diego Moreno, Sudip Pan, Lei Liu Zeonjuk, Rafael Islas, Edison Osorio, Gerardo Martínez-Guajardo, Pratim K Chattaraj, Thomas Heine, Gabriel Merino

Chemical Communications, 2014, 50 (60), 8140-8143

 

16. Is Al2Cl6 Aromatic? Cautions in Superficial NICS Interpretation

Juan José Torres, Rafael Islas, Edison Osorio, Jason G Harrison, William Tiznado, Gabriel Merino

The Journal of Physical Chemistry A, 2013, 117 (26), 5529-553

 

15. Molecular Structures of M2N2(2-) (M and N= B, Al, and Ga) Clusters Using the Gradient Embedded Genetic Algorithm

Rafael Islas, Jordi Poater, Eduard Matito, Miquel Solà

Physical Chemistry Chemical Physics, 2012, 14, 14850-14859

 

14. D3h CN3Be3(+) and CO3Li3(+): viable planar hexacoordinate carbon prototypes

Yan-Bo Wu, Yan Duan, Gang Lu, Hai-Gang Lu, Pin Yang, Paul von Ragué Schleyer, Gabriel Merino, Rafael Islas, Zhi-Xiang Wang

Physical Chemistry Chemical Physics, 2012, 14, 14760-14763

 

13. The induced magnetic field

Rafael Islas, Thomas Heine, Gabriel Merino

Accounts of chemical research, 2012, 45 (2), 215-228

 

12. Aromaticity and hydrogen storage capability of planar and rings

Soma Duley, Santanab Giri, Narayanasami Sathyamurthy, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj

Chemical Physics Letters, 2011, 506 (4), 315-320

 

11. Starlike aluminum–carbon aromatic species

Yan‐Bo Wu, Jin‐Liang Jiang, Hai‐Gang Lu, Zhi‐Xiang Wang, Nancy Perez‐Peralta, Rafael Islas, Maryel Contreras, Gabriel Merino, Judy I Wu,

Paul von Rague Schleyer

Chemistry-A European Journal, 2011, 17 (2), 714-719

 

10. B19(-): An Aromatic Wankel Motor

J Oscar C Jiménez‐Halla, Rafael Islas, Thomas Heine, Gabriel Merino

Angewandte Chemie International Edition, 2010, 49 (33), 5668-5671

 

9. Bonding, aromaticity, and structure of trigonal dianion metal clusters

Santanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj

Journal of computational chemistry, 2010, 31 (9), 1815-1821

 

8. Not All That Has a Negative NICS Is Aromatic: The Case of the H-Bonded Cyclic Trimer of HF

Rafael Islas, Gerardo Martínez-Guajardo, J Oscar C Jiménez-Halla, Miquel Solà, Gabriel Merino

Journal of Chemical Theory and Computation, 2010, 6 (4), 1131-1135

 

7. CAl4Be and CAl3Be2−: global minima with a planar pentacoordinate carbon atom

J Oscar C Jimenez-Halla, Yan-Bo Wu, Zhi-Xiang Wang, Rafael Islas, Thomas Heine, Gabriel Merino

Chemical Communications, 2010, 46 (46), 8776-8778

 

6. Designing 3-D molecular stars

William Tiznado, Nancy Perez-Peralta, Rafael Islas, Alejandro Toro-Labbe, Jesús M Ugalde, Gabriel Merino

Journal of the American Chemical Society, 2009, 131 (26), 9426-9431

 

5. Planar Tetracoordinate Carbons in Cyclic Semisaturated Hydrocarbons

Nanacy Perez-Peralta, Mario Sanchez, Jesús Martin-Polo, Rafael Islas, Alberto Vela, Gabriel Merino

The Journal of organic chemistry, 2008, 73 (18), 7037-7044

​

4. Borazine: to be or not to be aromatic

Rafael Islas, Eduardo Chamorro, Juvencio Robles, Thomas Heine, Juan C Santos, Gabriel Merino

Structural Chemistry, 2007, 18 (6), 833-839

 

3. Boron rings enclosing planar hypercoordinate group 14 elements

Rafael Islas, Thomas Heine, Keigo Ito, Paul R Schleyer, Gabriel Merino

Journal of the American Chemical Society, 2007, 129 (47), 14767-14774

 

2. Structure and Electron Delocalization in Al4(2-) and Al4(4-)

Rafael Islas, Thomas Heine, Gabriel Merino

Journal of Chemical Theory and Computation, 2007, 3 (3), 775-781

 

1. σ and π contributions to the induced magnetic field: Indicators for the mobility of electrons in molecules

Thomas Heine, Rafael Islas, Gabriel Merino

Journal of computational chemistry, 2007, 28 (1), 302-309