Items where Division is "Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie" and Year is 2015

A

Allolio, C. and Horinek, D. and Jungwirth, P. (2015) From ion-membrane interactions to cell penetrating peptides. SPRINGER, NEW YORK.

B

Borghi, Riccardo and Weniger, Ernst Joachim (2015) Convergence analysis of the summation of the factorially divergent Euler series by Pade approximants and the delta transformation. APPLIED NUMERICAL MATHEMATICS, 94. pp. 149-178. ISSN 0168-9274, 1873-5460

Boskovic, Perica and Sokol, Vesna and Zemb, Thomas and Touraud, Didier and Kunz, Werner (2015) Weak Micelle-Like Aggregation in Ternary Liquid Mixtures as Revealed by Conductivity, Surface Tension, and Light Scattering. JOURNAL OF PHYSICAL CHEMISTRY B, 119 (30). pp. 9933-9939. ISSN 1520-6106

C

Cruz, Gustavo N. and Lima, Filipe S. and Dias, Luis G. and El Seoud, Omar A. and Horinek, Dominik and Chaimovich, Hernan and Cuccovia, Iolanda M. (2015) Molecular Dynamics Simulations of the Initial-State Predict Product Distributions of Dediazoniation of Aryldiazonium in Binary Solvents. JOURNAL OF ORGANIC CHEMISTRY, 80 (17). pp. 8637-8642. ISSN 0022-3263

D

Donets, Sergii and Pershin, Anton and Baeurle, Stephan A. (2015) Computation of full polymer-based photovoltaic nanodevices using a parametrized field-based multiscale solar-cell approach. ORGANIC ELECTRONICS, 22. pp. 216-228. ISSN 1566-1199, 1878-5530

E

Eiberweiser, Andreas and Nazet, Andreas and Hefter, Glenn and Buchner, Richard (2015) Ion Hydration and Association in Aqueous Potassium Phosphate Solutions. JOURNAL OF PHYSICAL CHEMISTRY B, 119 (16). pp. 5270-5281. ISSN 1520-6106

F

Feldmeier, Christian and Bartling, Hanna and Magerl, Kathrin and Gschwind, Ruth M. (2015) LED-Illuminated NMR Studies of Flavin-Catalyzed Photooxidations Reveal Solvent Control of the Electron-Transfer Mechanism. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 54 (4). pp. 1347-1351. ISSN 1433-7851, 1521-3773

G

Gneuss, Timo and Leitl, Markus J. and Finger, Lars H. and Yersin, Hartmut and Sundermeyer, Joerg (2015) A new class of deep-blue emitting Cu(I) compounds - effects of counter ions on the emission behavior. DALTON TRANSACTIONS, 44 (46). pp. 20045-20055. ISSN 1477-9226, 1477-9234

Graf, Marion and Gothe, Yvonne and Metzler-Nolte, Nils and Czerwieniec, Rafal and Suenkel, Karlheinz (2015) Cyclometalated Iridium(III) Complexes Containing Semicarbazone Ligands: Synthesis, Characterization, Photophysical and Biological Studies. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 641 (10). pp. 1798-1802. ISSN 0044-2313, 1521-3749

Guenther, Manuel Ingo and Weidner, Norbert and Mueller, Rainer and Blesch, Armin (2015) Cell-seeded alginate hydrogel scaffolds promote directed linear axonal regeneration in the injured rat spinal cord. ACTA BIOMATERIALIA, 27. pp. 140-150. ISSN 1742-7061, 1878-7568

H

Hofmann, Matthias J. and Koelsch, Patrick (2015) Retrieval of complex chi((2)) parts for quantitative analysis of sum-frequency generation intensity spectra. JOURNAL OF CHEMICAL PHYSICS, 143 (13): 134112. ISSN 0021-9606, 1089-7690

K

Klamt, A. and Moya, C. and Palomar, J. (2015) A Comprehensive Comparison of the IEFPCM and SS(V)PE Continuum Solvation Methods with the COSMO Approach. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 11 (9). pp. 4220-4225. ISSN 1549-9618, 1549-9626

Klamt, Andreas and Diedenhofen, Michael (2015) Calculation of Solvation Free Energies with DCOSMO-RS. JOURNAL OF PHYSICAL CHEMISTRY A, 119 (21). pp. 5439-5445. ISSN 1089-5639

Kowalski, Konrad and Karpowicz, Rafal and Mloston, Grzegorz and Miesel, Dominique and Hildebrandt, Alexander and Lang, Heinrich and Czerwieniec, Rafal and Therrien, Bruno (2015) Synthesis and (spectro) electrochemistry of mixed-valent diferrocenyl-dihydrothiopyran derivatives. DALTON TRANSACTIONS, 44 (13). pp. 6268-6276. ISSN 1477-9226, 1477-9234

Kunz, Daniel A. and Leitl, Markus J. and Schade, Lukas and Schmid, Jasmin and Bojer, Beate and Schwarz, Ulrich T. and Ozin, Geoffrey A. and Yersin, Hartmut and Breu, Josef (2015) Quasi-epitaxial Growth of [Ru(bpy)(3)](2+) by Confinement in Clay Nanoplatelets Yields Polarized Emission. SMALL, 11 (7). pp. 792-796. ISSN 1613-6810, 1613-6829

L

Loschen, Christoph and Klamt, Andreas (2015) Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering. JOURNAL OF PHARMACY AND PHARMACOLOGY, 67 (6). pp. 803-811. ISSN 0022-3573, 2042-7158

M

Maderlehner, Sebastian and Leitl, Markus J. and Yersin, Hartmut and Pfitzner, Arno (2015) Halocuprate(I) zigzag chain structures with N-methylated DABCO cations - bright metal-centered luminescence and thermally activated color shifts. DALTON TRANSACTIONS, 44 (44). pp. 19305-19313. ISSN 1477-9226, 1477-9234

Moreno, Nicolas and Buchner, Richard and Vargas, Edgar F. (2015) Partial molar volume and isentropic compressibility of symmetrical and asymmetrical quaternary ammonium bromides in aqueous solution. JOURNAL OF CHEMICAL THERMODYNAMICS, 87. pp. 103-109. ISSN 0021-9614, 1096-3626

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Pentlehner, D. and Slenczka, A. (2015) Helium induced fine structure in the electronic spectra of anthracene derivatives doped into superfluid helium nanodroplets. JOURNAL OF CHEMICAL PHYSICS, 142 (1): 014311. ISSN 0021-9606, 1089-7690

Presselt, Martin and Dehaen, Wim and Maes, Wouter and Klamt, Andreas and Martinez, Todd and Beenken, Wichard J. D. and Kruk, Mikalai (2015) Quantum chemical insights into the dependence of porphyrin basicity on the meso-aryl substituents: thermodynamics, buckling, reaction sites and molecular flexibility. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (21). pp. 14096-14106. ISSN 1463-9076, 1463-9084

R

Richter, C. and Schneider, C. and Quick, M. T. and Volz, P. and Mahrwald, R. and Hughes, J. and Dick, B. and Alexiev, U. and Ernsting, N. P. (2015) Dual-fluorescence pH probe for bio-labelling. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (45). pp. 30590-30597. ISSN 1463-9076, 1463-9084

S

Sansone, Giuseppe and Civalleri, Bartolomeo and Usvyat, Denis and Toulouse, Julien and Sharkas, Kamal and Maschio, Lorenzo (2015) Range-separated double-hybrid density-functional theory applied to periodic systems. JOURNAL OF CHEMICAL PHYSICS, 143 (10): 102811. ISSN 0021-9606, 1089-7690

Schoettl, Sebastian and Touraud, Didier and Kunz, Werner and Zemb, Thomas and Horinek, Dominik (2015) Consistent definitions of "the interface" in surfactant-free micellar aggregates. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 480. pp. 222-227. ISSN 0927-7757, 1873-4359

Sonnleitner, Thomas and Turton, David A. and Hefter, Glenn and Ortner, Alexander and Waselikowski, Stefan and Walther, Markus and Wynne, Klaas and Buchner, Richard (2015) Ultra-Broadband Dielectric and Optical Kerr-Effect Study of the Ionic Liquids Ethyl and Propylammonium Nitrate. JOURNAL OF PHYSICAL CHEMISTRY B, 119 (29). pp. 8826-8841. ISSN 1520-6106

Suppan, Gottfried and Ruehrig, Manfred and Kanitz, Andreas and Gores, Heiner J. (2015) Electroplating Dysprosium from IL-Based Solutions: A Promising Electrochemical Step to Produce Stronger High Performance Nd(Dy)-Fe-B Sintered Magnets. JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 162 (8). D382-D388. ISSN 0013-4651, 1945-7111

U

Usvyat, Denis (2015) High precision quantum-chemical treatment of adsorption: Benchmarking physisorption of molecular hydrogen on graphane. JOURNAL OF CHEMICAL PHYSICS, 143 (10): 104704. ISSN 0021-9606, 1089-7690

Usvyat, Denis and Maschio, Lorenzo and Schuetz, Martin (2015) Periodic local MP2 method employing orbital specific virtuals. JOURNAL OF CHEMICAL PHYSICS, 143 (10): 102805. ISSN 0021-9606, 1089-7690