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Research outputs

Structure of V2O5·nH2O Xerogel Solved by the Atomic Pair Distribution Function Technique [2002]

Petkov, Valeri; Trikalitis, Pantelis N.; Božin, Emil S. ; Billinge, Simon J. L.; Vogt, Thomas; Kanatzidis, Mercouri G.

Unraveling the Role of a Flexible Tetradentate Ligand in the Aerobic Oxidative Carbon-Carbon Bond Formation with Palladium Complexes: A Computational Mechanistic Study [2018]

Peng, Qian; Wang, Zengwei; Zarić, Snežana D. ; Brothers, Edward N.; Hall, Michael B.

Identifying Cytosine-Specific Isomers via High-Accuracy Single Photon Ionization [2016]

Chen, Ziyong; Lau, Kai-Chung; Garcia, Gustavo A.; Nahon, Laurent; Božanić, Dušan ; Poisson, Lionel; Al-Mogren, Muneerah Mogren; Schwell, Martin; Francisco, Joseph S.; Bellili, Ayad;

Hochlaf, Majdi;

Cationic terminal gallylene complexes by halide abstraction: coordination chemistry of a valence isoelectronic analogue of CO and N2 [2008]

Coombs Natalie D; Vidovic Dragoslav ; Day Joanna K; Thompson Amber L; Pevelen Delphine D Le; Stasch Andreas; Clegg William; Russo Luca; Male Louise; Hursthouse Michael B

Density Functional Theory Study of Enantiospecific Adsorption at Chiral Surfaces [2002]

Šljivančanin, Željko ; Gothelf, Kurt V.; Hammer, Bjørk

Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono (σ-BH) Binding in [CpRu (PR3) 2 (H2BNCy2)]+ [2011]

Vidovic Dragoslav ; Addy David A; Krämer Tobias; McGrady John; Aldridge Simon

Toward an Ideal Polymer Binder Design for High-Capacity Battery Anodes [2013]

Wu, Mingyan; Xiao, Xingcheng; Vukmirović, Nenad ; Xun, Shidi; Das, Prodip K.; Song, Xiangyun; Olalde-Velasco, Paul; Wang, Dongdong; Weber, Adam Z.; Wang, Lin-Wang;

Battaglia, Vincent S.; Yang, Wanli; Liu, Gao;

Electronic structural flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins [2014]

Shafaat, Hannah S.; Griese, Julia J.; Pantazis, Dimitrios A.; Roos, Katarina; Andersson, Charlotta S.; Popović-Bijelić, Ana ; Gräslund, Astrid; Siegbahn, Per E. M.; Neese, Frank; Lubitz, Wolfgang;

Högbom, Martin; Cox, Nicholas;

Carbon-Hydrogen Activation of Cycloalkanes by Cyclopentadienylcarbonylrhodium-A Lifetime Enigma [2014]

Pitts, Amanda L.; Wriglesworth, Alisdair; Sun, Xue-Zhong; Calladine, James A.; Zarić, Snežana D. ; George, Michael W.; Hall, Michael B.

Design, synthesis, and conformational dynamics of a gated molecular basket [2006]

Maslak, Veselin ; Yan, Z; Xia, S; Gallucci, J; Hadad, Christopher M.; Badjic, JD