Understanding reaction mechanisms in organic chemistry from catastrophe theory applied to the electron localization function topology V Polo, J Andres, S Berski, LR Domingo, B Silvi
The Journal of Physical Chemistry A 112 (31), 7128-7136, 2008
192 2008 The joint use of catastrophe theory and electron localization function to characterize molecular mechanisms. A density functional study of the diels− alder reaction between … S Berski, J Andrés, B Silvi, LR Domingo
The Journal of Physical Chemistry A 107 (31), 6014-6024, 2003
173 2003 New findings on the Diels− Alder reactions. An analysis based on the bonding evolution theory S Berski, J Andrés, B Silvi, LR Domingo
The Journal of Physical Chemistry A 110 (51), 13939-13947, 2006
146 2006 Understanding the Molecular Mechanism of the 1, 3‐Dipolar Cycloaddition between Fulminic Acid and Acetylene in Terms of the Electron Localization Function and Catastrophe Theory V Polo, J Andres, R Castillo, S Berski, B Silvi
Chemistry–A European Journal 10 (20), 5165-5172, 2004
115 2004 Describing the molecular mechanism of organic reactions by using topological analysis of electronic localization function J Andres, S Berski, L R Domingo, V Polo, B Silvi
Current Organic Chemistry 15 (20), 3566-3575, 2011
88 2011 Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR … J Andrés, S Berski, B Silvi
Chemical communications 52 (53), 8183-8195, 2016
77 2016 Following the Molecular Mechanism for the NH3 + LiH → LiNH2 + H2 Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in … J Andres, S Berski, J Contreras-García, P Gonzalez-Navarrete
The Journal of Physical Chemistry A 118 (9), 1663-1672, 2014
71 2014 Topological analysis of the bonds in incomplete cuboidal [Mo 3 S 4] clusters M Feliz, R Llusar, J Andrés, S Berski, B Silvi
New Journal of Chemistry 26 (7), 844-850, 2002
53 2002 Bonding in hypohalous acids HOX S Berski, B Silvi, Z Latajka, J Leszczyński
The Journal of chemical physics 111 (6), 2542-2555, 1999
52 1999 Dominant Role of C− Br⊙⊙⊙ N Halogen Bond in Molecular Self-Organization. Crystallographic and Quantum-Chemical Study of Schiff-Base-Containing Triazoles S Berski, Z Ciunik, K Drabent, Z Latajka, J Panek
The Journal of Physical Chemistry B 108 (33), 12327-12332, 2004
51 2004 Nature of the ring‐closure process along the rearrangement of octa‐1, 3, 5, 7‐tetraene to cycloocta‐1, 3, 5‐triene from the perspective of the electron localization function … J Andrés, S Berski, LR Domingo, P González‐Navarrete
Journal of Computational Chemistry 33 (7), 748-756, 2012
50 2012 On the multiple B–N bonding in boron compounds using the topological analysis of electron localization function (ELF) S Berski, Z Latajka, AJ Gordon
New Journal of Chemistry 35 (1), 89-96, 2011
50 2011 Topological aspects of protonation and hydrogen bonding: the dihydrogen bond case F Fuster, B Silvi, S Berski, Z Latajka
Journal of Molecular Structure 555 (1-3), 75-84, 2000
48 2000 Electron localization function studies of the nature of binding in neutral rare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH, and HXeSH S Berski, Z Latajka, B Silvi, J Lundell
The Journal of Chemical Physics 114 (10), 4349-4358, 2001
43 2001 New aspects of weak C H⋯ π bonds: intermolecular interactions between alicyclic and aromatic rings in crystals of small compounds, peptides and proteins Z Ciunik, S Berski, Z Latajka, J Leszczyński
Journal of molecular structure 442 (1-3), 125-134, 1998
43 1998 The nature of the chemical bond in di-and polynuclear metal cluster complexes as depicted by the analysis of the electron localization function J Andrés, S Berski, M Feliz, R Llusar, F Sensato, B Silvi
Comptes rendus. Chimie 8 (9-10), 1400-1412, 2005
40 2005 High Kinetic Stability of HXeBr upon Interaction with Carbon Dioxide: HXeBr···CO2 Complex in a Xenon Matrix and HXeBr in a Carbon Dioxide Matrix M Tsuge, S Berski, R Stachowski, M Räsänen, Z Latajka, ...
The Journal of Physical Chemistry A 116 (18), 4510-4517, 2012
39 2012 Anharmonic interactions and Fermi resonance in the vibrational spectra of alcohols NA Atamas, AM Yaremko, LA Bulavin, VE Pogorelov, S Berski, Z Latajka, ...
Journal of molecular structure 605 (2-3), 187-198, 2002
39 2002 Electronic fluxes during diels‐alder reactions involving 1, 2‐benzoquinones: mechanistic insights from the analysis of electron localization function and catastrophe theory P González‐Navarrete, LR Domingo, J Andres, S Berski, B Silvi
Journal of Computational Chemistry 33 (30), 2400-2411, 2012
38 2012 How a quantum chemical topology analysis enables prediction of electron density transfers in chemical reactions. The degenerated cope rearrangement of semibullvalene P Gonzalez-Navarrete, J Andres, S Berski
The Journal of Physical Chemistry Letters 3 (17), 2500-2505, 2012
35 2012 