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Bibliographia Humboldtiana Index

Bibliographia Humboldtiana

III. Publications by Research Awardees in 2017

Chemistry, pharmacy

Carrington, Prof. Dr. Tucker

Queen's University at Kingston, Canada
Field of research: Theory of physical chemistry
Host: Prof. Dr. Uwe Manthe Universität Bielefeld
  • Tucker Carrington, Jalal Norooz Oliaee, N. Moazzen-Ahmadi et al. : The He 2 - OCS compley: comparison between theory and experiment. In: Chemical Physics Lett. . 694, 2017, p. 1 - 26.

  • Tucker Carrington, Sergei Manzhos, Xiao-Gang Wang: A multimode-like scheme for selecting the centers of Gaussian basis functions when computing vibrational spectra. In: Chem. Physics. 509, 2017, p. 139 - 144.

  • Tucker Carrington, Pushp Bajaj, Xiao-Gang Wang, Francesco Paesani : Vibrational Spectra of Halide-Water Dimers: Insights on Ion Hydration from Full-Dimensional Quantum Calculations on Many-Body Potential Energy Surfaces. In: Journal of Chem. Physics. 148, 2017.

  • Tucker Carrington, Gustavo Avila: Computing vibrational energy levels of CH 4 with a Smolyak collocation method. In: Journal of Chem. Physics. 147, 2017.

  • Tucker Carrington, Gustavo Avila: Reducing the cost of using collocation to compute vibrational energy levels: results for CH 2 NH. In: Journal of Chem. Phys. . 147, 2017, p. 1 - 26.

  • Tucker Carrington, Robert Wodraszka: Systematically expanding nondirect product bases within the pruned multi-confirguration time-dependent Hartree (MCTDH) method: A comparison with multi-layer MCTDH. In: Journal of Chem. Phys.. 146, 2017, p. 1 - 19.

  • Tucker Carrington, Phillip S. Thomas: An intertwindes method for making low-rank, sum-of-product basis functions that makes it posssible to compute vibrational spectra of molecules with more than 10 atoms. In: Journal of Chem. Phys. . 146, 2017.

  • Tucker Carrington: Computing (ro-)vibrational spectra of molecules with more than four atoms. In: Journal of Chemical Physics. 146, 2017, p. 1 - 11.

  • Tucker Carrington, Xiao-Gang Wang: Using monomer vibrational wavefunctions as contracted basis functions to compute rovibrational levels of an H2O-atom complex in full dimensionality. In: Journal of Chemical Physics. 146, 2017, p. 1 - 41.

  • Tucker Carrington, Xiao-Gang Wang : A numerically exact full dimensional calculation of rovibrational levels of water dimer. In: J. Chem. Phys.. 148, 2017, p. 1 - 18.

Gaich, Prof. Dr. Tanja

Universität Konstanz, Germany
Field of research: Organic chemistry
Host: Prof. Dr. Rainer Winter Universität Konstanz
  • C. Leitner, T. Gaich, : Total synthesis of (±)-20S-Hydroxy-1,2-dehydro-pseudoaspidospermidine via a C-H activation/transannular cyclization strategy.”. In: Chem. Commun. . 53, 2017, p. 7451 - 7453 [total synthesis photochemistry].

  • B. Schröder; T. Gaich, : Methoxatin as a target in total synthesis,. In: Synthesis 2017, 49 (8), 1746–1756.. 49, 2017, p. 1746 - 1756 [cofactor synthesis].

  • R. Eckermann; M. Breunig, T. Gaich, : Total Synthesis of strictamine via [2,3]-sigmatropic Stevens rearrangements,. In: Chem. Eur. J. 2017, (23), 16, 3938-3949. . 23, 2017, p. 3938 - 3949 [Alkaloids Total synthesis].

Langer, Prof. Dr. Dr. h.c. mult. Robert

Massachusetts Institute of Technology, United States of America
Field of research: Pharmaceutical technology, galenics

  • Phillip Nadeau, Dina El-Damak, Dean Glettig, Yong Lin Kong, Stacy Mo, Cody Cleveland, Lucas Booth, Niclas Roxhed, Robert Langer, Anantha P. Chandrakasan & Giovanni Traverso: Prolonged energy harvesting for ingestible devices. In: Nature Biomedical Engineering. 1, 2017.

Tsirelson, Prof. Dr. Vladimir G.

D. Mendeleev University of Chemical Technology of Russia, Russian Federation
Field of research: Theoretical chemistry
Host: Prof. Dr. Andreas Görling Friedrich-Alexander-Universität Erlangen-Nürnberg
  • E.Bartashevich, I.Yushina, K.Kropotina, S.Muhitdinova and V.Tsirelson.: Testing the Tools for Revealing and Characterizing the Iodine-Iodine Halogen Bond in Crystals. In: Acta Cryst.. B73, 2017, p. 217 - 226 [halogen bond, electron density].

  • R. Niranjana Devi, M. G. Khrenova, S.Israel, C.Anzline, A.A. Astakhov, V.G. Tsirelson. : Testing Ability of Rhodanine and 2, 4-Thiazolidinedione to Interact with the Human Pancreatic Alpha-Amylase: Electron-Density Descriptors Complement Molecular Docking, QM and QM/MM Dynamics Calculations. . In: J Molec Modeling . 23, 2017, p. 252 [Electron density descriptors, molecular docking, QM and QM/MM Dynamics].