Low-temperature polymorphs of and : A density-functional theory study JE Jaffe, RA Bachorz, M Gutowski Physical Review B—Condensed Matter and Materials Physics 72 (14), 144107, 2005 | 272 | 2005 |
Strong N− H··· π hydrogen bonding in amide− benzene interactions P Ottiger, C Pfaffen, R Leist, S Leutwyler, RA Bachorz, W Klopper The Journal of Physical Chemistry B 113 (9), 2937-2943, 2009 | 125 | 2009 |
The MP2‐F12 method in the TURBOMOLE program package RA Bachorz, FA Bischoff, A Glöß, C Hättig, S Höfener, W Klopper, DP Tew Journal of Computational Chemistry 32 (11), 2492-2513, 2011 | 120 | 2011 |
Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions RA Bachorz, FA Bischoff, S Höfener, W Klopper, P Ottiger, R Leist, JA Frey, ... Physical Chemistry Chemical Physics 10 (19), 2758-2766, 2008 | 103 | 2008 |
Electron-driven acid-base chemistry: proton transfer from hydrogen chloride to ammonia SN Eustis, D Radisic, KH Bowen, RA Bachorz, M Haranczyk, GK Schenter, ... Science 319 (5865), 936-939, 2008 | 95 | 2008 |
Stabilization of very rare tautomers of uracil by an excess electron RA Bachorz, J Rak, M Gutowski Physical Chemistry Chemical Physics 7 (10), 2116-2125, 2005 | 85 | 2005 |
Nucleobase-Fluorobenzene Interactions: Hydrogen Bonding Wins over p Stacking R Leist, JA Frey, P Ottiger, HM Frey, S Leutwyler, RA Bachorz, W Klopper ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH- 46 (39), 7449, 2007 | 83 | 2007 |
Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion RA Bachorz, W Klopper, M Gutowski The Journal of chemical physics 126 (8), 2007 | 79 | 2007 |
Accurate computational thermochemistry from explicitly correlated coupled-cluster theory W Klopper, RA Bachorz, C Hättig, DP Tew Theoretical Chemistry Accounts 126, 289-304, 2010 | 78 | 2010 |
Photoelectron spectroscopy of adiabatically bound valence anions of rare tautomers of the nucleic acid bases X Li, KH Bowen, M Haranczyk, RA Bachorz, K Mazurkiewicz, J Rak, ... The Journal of chemical physics 127 (17), 2007 | 72 | 2007 |
Excess Electron Attachment Induces Barrier-Free Proton Transfer in Binary Complexes of Uracil with H2Se and H2S but Not with H2O M Harańczyk, R Bachorz, J Rak, M Gutowski, D Radisic, ST Stokes, ... The Journal of Physical Chemistry B 107 (31), 7889-7895, 2003 | 60 | 2003 |
Sub-meV accuracy in first-principles computations of the ionization potentials and electron affinities of the atoms H to Ne W Klopper, RA Bachorz, DP Tew, C Hättig Physical Review A—Atomic, Molecular, and Optical Physics 81 (2), 022503, 2010 | 55 | 2010 |
Photoelectron spectrum of valence anions of uracil and first-principles calculations of excess electron binding energies RA Bachorz, W Klopper, M Gutowski, X Li, KH Bowen The Journal of chemical physics 129 (5), 2008 | 51 | 2008 |
Rovibrational energy levels of H3+ with energies above the barrier to linearity RA Bachorz, W Cencek, R Jaquet, J Komasa The Journal of chemical physics 131 (2), 2009 | 48 | 2009 |
On the unusual stability of valence anions of thymine based on very rare tautomers: a computational study K Mazurkiewicz, RA Bachorz, M Gutowski, J Rak The Journal of Physical Chemistry B 110 (48), 24696-24707, 2006 | 47 | 2006 |
Synthesis of naphthalimide-carborane and metallacarborane conjugates: Anticancer activity, DNA binding ability J Nekvinda, D Różycka, S Rykowski, E Wyszko, A Fedoruk-Wyszomirska, ... Bioorganic Chemistry 94, 103432, 2020 | 36 | 2020 |
Anion of the formic acid dimer as a model for intermolecular proton transfer induced by a π* excess electron RA Bachorz, M Harańczyk, I Dąbkowska, J Rak, M Gutowski The Journal of chemical physics 122 (20), 2005 | 33 | 2005 |
Cardiac glycosides with target at direct and indirect interactions with nuclear receptors K Karaś, A Sałkowska, J Dastych, RA Bachorz, M Ratajewski Biomedicine & Pharmacotherapy 127, 110106, 2020 | 30 | 2020 |
The cardenolides strophanthidin, digoxigenin and dihydroouabain act as activators of the human RORγ/RORγT receptors K Karaś, A Sałkowska, A Walczak-Drzewiecka, K Ryba, J Dastych, ... Toxicology Letters 295, 314-324, 2018 | 28 | 2018 |
Ab initio theory for accurate spectroscopic constants and molecular properties DP Tew, W Klopper, RA Bachorz, C Hättig Handbook of High‐resolution Spectroscopy, 2011 | 22 | 2011 |