Aarhus University Seal / Aarhus Universitets segl

Venkatesha Rama Hathwar

  1. 2019
  2. Published

    Low-Temperature Structural Phase Transitions in Thermoelectric Tetrahedrite, Cu12Sb4S13, and Tennantite, Cu12As4S13. / Hathwar, Venkatesha R.; Nakamura, Atsushi; Kasai, Hidetaka; Suekuni, Koichiro; Tanaka, Hiromi I.; Takabatake, Toshiro; Iversen, Bo B.; Nishibori, Eiji.

    In: Crystal Growth & Design, Vol. 19, No. 7, 07.2019, p. 3979-3988.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  3. Published

    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, Ming W.; Thomas, Sajesh P.; Hathwar, Venkatesha R.; Edwards, Alison J.; Piltz, Ross O.; Jayatilaka, Dylan; Koutsantonis, George A.; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.; Spackman, Mark A.

    In: Journal of the American Chemical Society, Vol. 141, No. 9, 2019, p. 3965-3976.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearch

  4. 2018
  5. Published

    X-ray electron density investigation of chemical bonding in van der Waals materials. / Kasai, Hidetaka; Tolborg, Kasper; Sist, Mattia; Zhang, Jiawei; Hathwar, Venkatesha R.; Filsø, Mette; Cenedese, Simone; Sugimoto, Kunihisa; Overgaard, Jacob; Nishibori, Eiji; Iversen, Bo B.

    In: Nature Materials, Vol. 17, No. 3, 26.02.2018, p. 249-252.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  6. Published

    Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. / Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R.; Macchi, Piero; Turner, Michael J.; Howard, Judith A.K.; Dolomanov, Oleg V.; Puschmann, Horst; Iversen, Bo B.; Bürgi, Hans Beat; Grabowsky, Simon.

    In: IUCrJ, Vol. 5, No. 1, 01.01.2018, p. 32-44.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  7. 2017
  8. Published

    Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes. / Hathwar, Venkatesha Rama; Stingaciu, Marian; Richter, Bo; Overgaard, Jacob; Iversen, Bo B.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 73, No. Pt 2, 04.2017, p. 304-312.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  9. Published

    Neutron and X-ray investigations of the Jahn-Teller switch in partially deuterated ammonium copper Tutton salt, (NH4)2[Cu(H2O)6](SO4)2. / Jørgensen, Mads Ry Vogel; Piccoli, Paula M B; Hathwar, Venkatesha R.; Wang, Xiaoping; Hoffmann, Christina M.; Yakovenko, Andrey A.; Halder, Gregory J.; Schlueter, John A.; Iversen, Bo B.; Schultz, Arthur J.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 73, No. 1, 2017, p. 87-93.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  10. 2016
  11. Published

    "Conformational lock" via unusual intramolecular C-F⋯O=C and C-H⋯Cl-C parallel dipoles observed in in situ cryocrystallized liquids. / Dey, Dhananjay; Bhandary, Subhrajyoti; Sirohiwal, Abhishek; Hathwar, Venkatesha Rama; Chopra, Deepak.

    In: Chemical Communications, Vol. 52, No. 45, 2016, p. 7225-7228.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  12. Published

    Electron Density Analysis of the "O-O" Charge-Shift Bonding in Rubrene Endoperoxide. / Hathwar, Venkatesha R; Thomsen, Maja K; Mamakhel, Mohammad Aref H; Filsø, Mette Ø; Overgaard, Jacob; Iversen, Bo B.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 120, No. 38, 2016, p. 7510-7518.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  13. 2015
  14. Published

    Relationship between Structure and Property in Organic Semiconductors by an Electron Density Analysis. / Hathwar, Venkatesha Rama.

    2015. Poster session presented at Sagamore XVIII, Santa Margherita di Pula (Ca), Italy.

    Research output: Contribution to conferencePosterResearchpeer-review

  15. Published

    Quantitative analysis of intermolecular interactions in orthorhombic rubrene. / Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Mohammad Aref Hasen; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: IUCrJ, Vol. 2, No. 5, 2015, p. 563-574.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  16. 2014
  17. Published

    Revealing the polarizability of organic fluorine in the trifluoromethyl group : Implications in supramolecular chemistry. / Hathwar, Venkatesha R.; Chopra, Deepak; Panini, Piyush; Guru Row, T. N.

    In: Crystal Growth & Design, Vol. 14, No. 11, 05.11.2014, p. 5366-5369.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  18. Published

    Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ. / Jørgensen, Mads Ry Vogel; Hathwar, Venkatesha Rama; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: Acta Crystallographica Section A: Foundations and Advances, Vol. 70, No. 6, 2014, p. 679-681.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  19. Published

    Contemporary X-ray electron-density studies using synchrotron radiation. / Jørgensen, Mads Ry Vogel; Hathwar, Venkatesha Rama; Bindzus, Niels; Wahlberg, Nanna; Chen, Yu-Sheng; Overgaard, Jacob; Iversen, Bo Brummerstedt.

    In: IUCrJ, Vol. 1, No. 5, 2014, p. 267-280.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  20. Published

    Intermolecular interactions, charge-density distribution and the electrostatic properties of pyrazinamide anti-TB drug molecule : An experimental and theoretical charge-density study. / Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani.

    In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 70, No. 3, 2014, p. 568-579.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  21. Published

    Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes. / Overgaard, Jacob; Walsh, James P.S.; Hathwar, Venkatesha Rama; Jørgensen, Mads Ry Vogel; Hoffman, Christina; Platts, Jamie A.; Pilz, Ross; Winpenny, Richard E.P.

    In: Inorganic Chemistry, Vol. 53, No. 21, 2014, p. 11531-11539.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review