105. Title: New basis set for the evaluation of specific rotation in flexible biological molecules in solution
Author(s): A. Baranowska-Łaczkowska, K. Łączkowski, C. Henriksen, B. Fernández,
Source: J. Phys. Chem. A, aceptado 2018. 
DOI: 10.1021/acs.jpca.8b03320

104. Title: Fluorescence quenching of the N-methylquinolinium cation by pairs of water or alcohol molecules
Author(s): Rodriguez-Prieto, Flor; Costa Corbelle, Carlos; Fernandez, Berta; et al.
Source: Physical Chemistry Chemical Physics Volume: 20 Issue: 1 Pages: 307-316 Published: JAN 7 2018
DOI: 10.1039/c7cp07057h

103. Title: Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals
Author(s): Ferro-Costas, David; Martínez-Núñez, Emilio; Rodríguez-Otero, Jesús; et al.
Source: The Journal of Physical Chemistry A Volume: 122 Issue: 21 Pages: 4790-4800 Published: 2018/05/31
DOI: 10.1021/acs.jpca.8b02949 / Author-provided URL : https://doi.org/10.1021/acs.jpca.8b02949

102. Title: Predicting the Helical Sense of Poly(phenylacetylene)s from their Electron Circular Dichroism Spectra.
Author(s): Fernandez, Berta; Rodriguez, Rafael; Rizzo, Antonio; et al.
Source: Angewandte Chemie (International ed. in English) Published: 2018-Feb-06
DOI: 10.1002/anie.201713164

101. Title: Theoretical calculation of NMR shifts in newly developed antibacterial 4-formylbenzoic acid-based thiazoles
Author(s): Baranowska-Laczkowska, Angelika; Kozak, Marta; Laczkowski, Krzysztof Z.; et al.
Source: Theoretical Chemistry Accounts Volume: 137 Issue: 3 Published: MAR 3 2018
DOI: 10.1007/s00214-018-2214-3

100. Title: Dissecting the concave-convex - interaction in corannulene and sumanene dimers: SAPT(DFT) analysis and performance of DFT dispersion-corrected methods
Author(s): Cabaleiro-Lago, Enrique M.; Fernandez, Berta; Rodriguez-Otero, Jesus
Source: Journal of Computational Chemistry Volume: 39 Issue: 2 Pages: 93-104 Published: JAN 15 2017
DOI: 10.1002/jcc.25084

99. Title: Theoretical evaluation of NMR shifts in polycyclic aromatic hydrocarbons
Author(s): Baranowska-Laczkowska, Angelika; Laczkowski, Krzysztof Z.; Fernandez, Berta; et al.
Source: Molecular Physics Volume: 115 Issue: 17-18 Pages: 2201-2208 Published: 2017
DOI: 10.1080/00268976.2016.1275858

98. Title: New basis set for the prediction of the specific rotation in flexible biological molecules
Author(s): Baranowska-Laczkowska, Angelika; Laczkowski, Krzysztof Z.; Henriksen, Christian; et al.
Source: Rsc Advances Volume: 6 Issue: 24 Pages: 19897-19902 Published: 2016
DOI: 10.1039/c5ra20186a

97. Title: Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp.
Author(s): Laczkowski, Krzysztof Z.; Motylewska, Katarzyna; Baranowska-Laczkowska, Angelika; et al.
Source: Journal of Molecular Structure Volume: 1108 Pages: 427-437 Published: MAR 15 2016
DOI: 10.1016/j.molstruc.2015.12.033

96. Title: Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities
Author(s): Baranowska-Laczkowska, Angelika; Fernandez, Berta; Rizzo, Antonio; et al.
Source: Molecular Physics Volume: 113 Issue: 13-14 Pages: 1786-1793 Published: JUL 18 2015
DOI: 10.1080/00268976.2015.1014004


95. Title: Small and efficient basis sets for the evaluation of accurate interaction-induced linear and non-linear electric properties in model hydrogen-bonded complexes
Author(s): Baranowska-Laczkowska, Angelika; Fernandez, Berta
Source: Molecular Physics Volume: 113 Issue: 21 Pages: 3362-3369 Published: NOV 2 2015
DOI: 10.1080/00268976.2015.1023223

94. Title: The infrared spectrum of the He-C2D2 complex
Author(s): Moazzen-Ahmadi, N.; McKellar, A. R. W.; Fernandez, Berta; et al.
Source: Journal of Chemical Physics Volume: 142 Issue: 8 Published: FEB 28 2015
DOI: 10.1063/1.4913492

93. Title: The infrared spectrum of the Ne-C2D2 complex
Author(s): Moazzen-Ahmadi, N.; McKellar, A. R. W.; Fernandez, Berta; et al.
Source: Journal of Chemical Physics Volume: 143 Issue: 20 Published: NOV 28 2015
DOI: 10.1063/1.4936359

92. Title: Theoretical Study of the Pyridine-Helium van der Waals Complexes
Author(s): Cybulski, Hubert; Henriksen, Christian; Fernandez, Berta
Source: Journal of Physical Chemistry a Volume: 119 Issue: 44 Pages: 10999-11006 Published: NOV 5 2015
DOI: 10.1021/acs.jpca.5608492