| 1 |
Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis
Shi MW, Thomas SP, Hathwar VR, Edwards AJ, Piltz RO, Jayatilaka D, Koutsantonis GA, Overgaard J, Nishibori E, Iversen BB, Spackman MA
Journal of the American Chemical Society, 141(9), 3965, 2019 |
| 2 |
X-ray electron density investigation of chemical bonding in van der Waals materials
Kasai H, Tolborg K, Sist M, Zhang JW, Hathwar VR, Filso MO, Cenedese S, Sugimoto K, Overgaard J, Nishibori E, Iversen BB
Nature Materials, 17(3), 249, 2018 |
| 3 |
Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide
Hathwar VR, Thomsen MK, Mamakhel MAH, Filso MO, Overgaard J, Iversen BB
Journal of Physical Chemistry A, 120(38), 7510, 2016 |
| 4 |
Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes
Overgaard J, Walsh JPS, Hathwar VR, Lorgensen MRV, Hoffinan C, Platts JA, Piltz R, Winpenny REP
Inorganic Chemistry, 53(21), 11531, 2014 |
| 5 |
Charge Density Analysis of a Pentaborate Ion in an Ammonium Borate: Toward the Understanding of Topological Features in Borate Minerals
Hathwar VR, Paul AK, Natarajan S, Row TNG
Journal of Physical Chemistry A, 115(45), 12818, 2011 |
| 6 |
Extending the Supramolecular Synthon Based Fragment Approach (SBFA) for Transferability of Multipole Charge Density Parameters to Monofluorobenzoic Acids and their Cocrystals with Isonicotinamide: Importance of C-H center dot center dot center dot O, C-H center dot center dot center dot F, and F center dot center dot center dot F Intermolecular Regions
Hathwar VR, Thakur TS, Dubey R, Pavan MS, Row TNG, Desiraju GR
Journal of Physical Chemistry A, 115(45), 12852, 2011 |
| 7 |
Nature of Cl center dot center dot center dot Cl Intermolecular Interactions via Experimental and Theoretical Charge Density Analysis: Correlation of Polar Flattening Effects with Geometry
Hathwar VR, Row TNG
Journal of Physical Chemistry A, 114(51), 13434, 2010 |
