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Chemical Communications (Cambridge, England)|February 20, 2004
Prediction of formation constants of metal-ammonia complexes in aqueous solution using density functional theory calculationsRobert D Hancock, Libero J BartolottiThe Journal of Physical Chemistry. A|July 13, 2006
An example where orbital relaxation is an important contribution to the Fukui functionLibero J Bartolotti, Paul W AyersThe Journal of Chemical Physics|December 21, 2004
Exchange-correlation potentials for high-electron-density ions in the Be isoelectronic seriesRobert C Morrison, Libero J BartolottiInorganic Chemistry|September 27, 2005
Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I)Robert D Hancock, Libero J BartolottiInorganic Chemistry|December 19, 2006
Density functional theory-based prediction of some aqueous-phase chemistry of superheavy element 111. Roentgenium(I) is the "softest" metal ionRobert D Hancock, Libero J Bartolotti, Nikolas KaltsoyannisProtein Engineering, Design & Selection : PEDS|February 20, 2008
Molecular dynamics simulation studies on Ca2+ -induced conformational changes of annexin IRohini D Shesham, Libero J Bartolotti, Yumin LiProteins|June 11, 2014
The N-terminal of annexin A1 as a secondary membrane binding site: a molecular dynamics studyMatthew P Donohue, Libero J Bartolotti, Yumin LiBiochemistry|March 21, 2007
Copper and zinc promote interactions between membrane-anchored peptides of the metal binding domain of the prion proteinAngela G Kenward, Libero J Bartolotti, Colin S BurnsThe Journal of Physical Chemistry. A|December 19, 2007
Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approachMilind M Deshmukh, Libero J Bartolotti, Shridhar R GadreThe Journal of Physical Chemistry. A|July 13, 2006
Structures, energetics, and vibrational spectra of H2O2...(H2O)n, n = 1-6 clusters: Ab initio quantum chemical investigationsAnant D Kulkarni, Rajeev K Pathak, Libero J BartolottiPageof 3