| Towards crystal structure prediction of complex organic compounds–a report on the fifth blind test DA Bardwell, CS Adjiman, YA Arnautova, E Bartashevich, SXM Boerrigter, ... Acta Crystallographica Section B: Structural Science 67 (6), 535-551, 2011 | 455 | 2011 |
| Charge density analysis of crystals of nicotinamide with salicylic acid and oxalic acid: an insight into the salt to cocrystal continuum VR Hathwar, R Pal, TN Guru Row Crystal growth & design 10 (8), 3306-3310, 2010 | 95 | 2010 |
| Fast and accurate quantum crystallography: from small to large, from light to heavy LA Malaspina, EK Wieduwilt, J Bergmann, F Kleemiss, B Meyer, ... The journal of physical chemistry letters 10 (22), 6973-6982, 2019 | 61 | 2019 |
| Covalency and ionicity do not oppose each other—relationship between Si− O bond character and basicity of siloxanes M Fugel, MF Hesse, R Pal, J Beckmann, D Jayatilaka, MJ Turner, ... Chemistry–A European Journal 24 (57), 15275-15286, 2018 | 48 | 2018 |
| Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones R Pal, S Mukherjee, S Chandrasekhar, TN Guru Row The Journal of Physical Chemistry A 118 (19), 3479-3489, 2014 | 39 | 2014 |
| Characterization of interactions involving bromine in 2, 2-dibromo-2, 3-dihydroinden-1-one via experimental charge density analysis MS Pavan, R Pal, K Nagarajan, TN Guru Row Crystal growth & design 14 (11), 5477-5485, 2014 | 32 | 2014 |
| Revisiting a historical concept by using quantum crystallography: Are phosphate, sulfate and perchlorate anions hypervalent? M Fugel, LA Malaspina, R Pal, SP Thomas, MW Shi, MA Spackman, ... Chemistry–A European Journal 25 (26), 6523-6532, 2019 | 31 | 2019 |
| Observation of a reversible isomorphous phase transition and an interplay of “σ-holes” and “π-holes” in Fmoc-Leu-ψ [CH 2-NCS] R Pal, G Nagendra, M Samarasimhareddy, VV Sureshbabu, TNG Row Chemical Communications 51 (5), 933-936, 2015 | 28 | 2015 |
| Conformation-changing aggregation in hydroxyacetone: a combined low-temperature FTIR, jet, and crystallographic study A Sharma, I Reva, R Fausto, S Hesse, Z Xue, MA Suhm, SK Nayak, ... Journal of the American Chemical Society 133 (50), 20194-20207, 2011 | 27 | 2011 |
| SF5-Enolates in Ti(IV)-Mediated Aldol Reactions MV Ponomarenko, S Grabowsky, R Pal, GV Röschenthaler, AA Fokin The Journal of Organic Chemistry 81 (15), 6783-6791, 2016 | 23 | 2016 |
| The relevance of experimental charge density analysis in unraveling noncovalent interactions in molecular crystals SP Thomas, AG Dikundwar, S Sarkar, MS Pavan, R Pal, VR Hathwar, ... Molecules 27 (12), 3690, 2022 | 19 | 2022 |
| Linear MgCp*2 vs Bent CaCp*2: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C–H···Ca Interactions R Pal, S Mebs, MW Shi, D Jayatilaka, JM Krzeszczakowska, ... Inorganic chemistry 57 (9), 4906-4920, 2018 | 19 | 2018 |
| Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis R Pal, MBM Reddy, B Dinesh, MA Venkatesha, S Grabowsky, C Jelsch, ... The Journal of Physical Chemistry A 122 (14), 3665-3679, 2018 | 13 | 2018 |
| Investigating the resonance in nitric acid and the nitrate anion based on a modern bonding analysis M Fugel, F Kleemiss, LA Malaspina, R Pal, PR Spackman, D Jayatilaka, ... Australian Journal of Chemistry 71 (4), 227-237, 2018 | 12 | 2018 |
| syn and anti polymorphs of 2, 6-dimethoxy benzoic acid and its molecular and ionic cocrystals: Structural analysis and energetic perspective R Pal, C Jelsch, LA Malaspina, AJ Edwards, MM Murshed, S Grabowsky Journal of Molecular Structure 1221, 128721, 2020 | 10 | 2020 |
| Temperature-Induced Reversible First-Order Single Crystal to Single Crystal Phase Transition in Boc-γ4(R)Val-Val-OH: Interplay of Enthalpy and Entropy R Pal, MBM Reddy, B Dinesh, P Balaram, TN Guru Row The Journal of Physical Chemistry A 118 (40), 9568-9574, 2014 | 10 | 2014 |
| A Facile Synthesis of 1, 5‐Disubstituted Tetrazole Peptidomimetics by Desulfurization/Electrocyclization of Thiopeptides G Prabhu, G Nagendra, NR Sagar, R Pal, TN Guru Row, VV Sureshbabu Asian Journal of Organic Chemistry 5 (1), 127-137, 2016 | 8 | 2016 |
| The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials E Hupf, F Kleemiss, T Borrmann, R Pal, JM Krzeszczakowska, M Woińska, ... The Journal of Chemical Physics 158 (12), 2023 | 7 | 2023 |
| Bn-substitution in dithienylpyrenes prevents excimer formation in solution and in the solid state Y Appiarius, PJ Gliese, SAW Segler, P Rusch, J Zhang, PJ Gates, R Pal, ... The Journal of Physical Chemistry C 126 (9), 4563-4576, 2022 | 6 | 2022 |
| Low temperature FTIR, Raman, NMR spectroscopic and theoretical study of hydroxyethylammonium picrate N Sudharsana, A Sharma, N Kuş, R Fausto, ML Ramos, V Krishnakumar, ... Journal of Molecular Structure 1104, 40-51, 2016 | 6 | 2016 |
