Publications

150 150 Cristina Trujillo PhD

J. Phys. Chem. A 2021, 125, 22, 4741–4749

https://doi.org/10.3390/ijms21218036

Iñigo Iribarren, Goar Sánchez-Sanz   Ibon Alkorta , José Elguero and Cristina Trujillo 

Evaluation of Electron Density Shifts in Noncovalent Interactions

Cover: Electron Density Shift (EDS) maps can be numerically evaluated in noncovalent interactions. EDS now combines the qualitative visual description with the quantitative evaluation. Pictured is the EDS map for H2O⸱⸱⸱H2O with positive (green) and negative (magenta) values.

DOI: 10.1021/acs.jpca.1c00830

152 page minimum spine. Editor: Matt Hotze, JEM: Esther
RTP: Diane Murphy

150 150 Cristina Trujillo PhD

Eur. J. Org. Chem. 2021, 1113 –1122

doi.org/10.1002/ejoc.202001564

Nitika Grover, Keith J. Flanagan, Cristina Trujillo*, Christopher J. Kingsbury and Mathias O. Senge*

Cover Feature: An Insight into Non‐Covalent Interactions on the Bicyclo[1.1.1]pentane Scaffold

150 150 Cristina Trujillo PhD

Int. J. Mol. Sci. 2020, 21, 8036

https://doi.org/10.3390/ijms21218036

Ibon Alkorta , José Elguero, Cristina Trujillo and Goar Sánchez-Sanz   

Interaction between Trinuclear Regium Complexes of Pyrazolate and Anions, a Computational Study

150 150 Cristina Trujillo PhD

ChemPhysChem, 2020, 21, 1

https://doi.org/10.1007/s11224-020-01590-0

Goar Sánchez-Sanz, Cristina Trujillo, Ibon Alkorta and José Elguero

Rivalry between regium and hydrogen bonds established within diatomic coinage molecules and Lewis acids/bases

150 150 Cristina Trujillo PhD

Struct Chem,2020, 31, 1909–1918

https://doi.org/10.1007/s11224-020-01590-0

Cristina Trujillo, Goar Sánchez-Sanz, José Elguero and Ibon Alkorta

The Lewis acidities of gold(I) and gold(III) derivatives: a theoretical study of complexes of AuCl and AuCl3

 

 

150 150 Cristina Trujillo PhD

Phys. Chem. Chem. Phys., 2020,22, 21015-21021

https://doi.org/10.1039/D0CP02012E

Improving phase-transfer catalysis by enhancing non-covalent interactions

This article is part of the themed collection: PCCP Emerging Investigators

150 150 Cristina Trujillo PhD

Org. Biomol. Chem., 2020, 18, 5617-5624

https://doi.org/10.1039/D0OB01264E

J. Grover, C. Trujillo, M. Saad, G.  Emandi, N. Stipaničev, S. S. R. Bernhard,  A. Guédin, J. L. Mergny, M. O. Senge and  I. Rozas

Dual-binding conjugates of diaromatic guanidines and porphyrins for recognition of G-quadruplexes

150 150 Cristina Trujillo PhD

Crystals, 2020, 10(2), 137

https://doi.org/10.3390/cryst10020137

Ibon Alkorta , Cristina Trujillo , Goar Sánchez-Sanz  and José Elguero 

Regium Bonds between Silver(I) Pyrazolates Dinuclear Complexes and Lewis Bases (N2, OH2, NCH, SH2, NH3, PH3, CO and CNH)

This article belongs to the Special Issue σ- and π-Hole Interactions

150 150 Cristina Trujillo PhD

Molecules, 2020, 25(4), 798

https://doi.org/10.3390/molecules25040798

Iñigo Iribarren, Goar Sánchez-Sanz and Cristina Trujillo

Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds

(This article belongs to the Special Issue Halogen Bonding: Insights from Computational Tools)

 

150 150 Cristina Trujillo PhD

ChemPhysChem, 2019, 20, 3186-3194 (Cover)

https:10.1002/cphc.201900899

Viola Previtali, Goar Sánchez–Sanz  and Cristina Trujillo

Theoretical investigation of cyano‐chalcogen dimers and their importance in molecular recognition (An invited contribution to a Special Collection on Molecular Recognition)