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 Cl, Br, and I) from the topological analysis of the electron localization function 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 |