Items where Division is "Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie" and Year is 2014

A

Andersson, M. P. and Bennetzen, M. V. and Klamt, A. and Stipp, S. L. S. (2014) First-Principles Prediction of Liquid/Liquid Interfacial Tension. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 10 (8). pp. 3401-3408. ISSN 1549-9618, 1549-9626

B

Bittermann, Kai and Spycher, Simon and Endo, Satoshi and Pohler, Larissa and Huniar, Uwe and Goss, Kai-Uwe and Klamt, Andreas (2014) Prediction of Phospholipid-Water Partition Coefficients of Ionic Organic Chemicals Using the Mechanistic Model COSMOmic. JOURNAL OF PHYSICAL CHEMISTRY B, 118 (51). pp. 14833-14842. ISSN 1520-6106

E

Eiblmeier, Josef and Dankesreiter, Stephan and Pfitzner, Arno and Schmalz, Gottfried and Kunz, Werner and Kellermeier, Matthias (2014) Crystallization of Mixed Alkaline-Earth Carbonates in Silica Solutions at High pH. CRYSTAL GROWTH & DESIGN, 14 (12). pp. 6177-6188. ISSN 1528-7483, 1528-7505

Erlach, Markus Beck and Koehler, Joerg and Moeser, Beate and Horinek, Dominik and Kremer, Werner and Kalbitzer, Hans Robert (2014) Relationship between Nonlinear Pressure-Induced Chemical Shift Changes and Thermodynamic Parameters. JOURNAL OF PHYSICAL CHEMISTRY B, 118 (21). pp. 5681-5690. ISSN 1520-6106

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Graf, Marion and Gothe, Yvonne and Metzler-Nolte, Nils and Czerwieniec, Rafal and Suenkel, Karlheinz (2014) Photophysical and biological characterization of new cationic cyclometalated M(III) complexes of rhodium and iridium. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 765. pp. 46-52. ISSN 0022-328X, 1872-8561

H

Hacioglu, Serife O. and Toksabay, Sinem and Sendur, Merve and Toppare, Levent (2014) Synthesis and Electrochromic Properties of Triphenylamine Containing Copolymers: Effect of pi-Bridge on Electrochemical Properties. JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY, 52 (4). pp. 537-544. ISSN 0887-624X, 1099-0518

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Klamt, Andreas (2014) Comment on "An Improvement to COSMO-SAC for Predicting Thermodynamic Properties". INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 53 (21). p. 8935. ISSN 0888-5885

Kowalski, Konrad and Szczupak, Lukasz and Skiba, Joanna and Abdel-Rahman, Obadah S. and Winter, Rainer F. and Czerwieniec, Rafal and Therrien, Bruno (2014) Synthesis, Structure, and Spectroelectrochemistry of Ferrocenyl-Meldrum's Acid Donor-Acceptor Systems. ORGANOMETALLICS, 33 (18). pp. 4697-4705. ISSN 0276-7333, 1520-6041

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Lima, Filipe S. and Chaimovich, Hernan and Cuccovia, Iolanda M. and Horinek, Dominik (2014) Molecular Dynamics Shows That Ion Pairing and Counterion Anchoring Control the Properties of Triflate Micelles: A Comparison with Triflate at the Air/Water Interface. LANGMUIR, 30 (5). pp. 1239-1249. ISSN 0743-7463

Loibl, Stefan and Schuetz, Martin (2014) Magnetizability and rotational g tensors for density fitted local second-order Moller-Plesset perturbation theory using gauge-including atomic orbitals. JOURNAL OF CHEMICAL PHYSICS, 141 (2): 024108. ISSN 0021-9606, 1089-7690

Loschen, Christoph and Klamt, Andreas (2014) Prediction of Solubilities and Partition Coefficients in Polymers Using COSMO-RS. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 53 (28). pp. 11478-11487. ISSN 0888-5885

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Marcus, Julien and Mueller, Martina and Nistler, Joseph and Touraud, Didier and Kunz, Werner (2014) Nano-droplet formation in water/ethanol or isopropanol/mosquito repellent formulations. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 458. pp. 3-9. ISSN 0927-7757, 1873-4359

Marovic, Danijela and Tarle, Zrinka and Hiller, Karl Anton and Mueller, Rainer and Ristic, Mira and Rosentritt, Martin and Skrtic, Drago and Schmalz, Gottfried (2014) Effect of silanized nanosilica addition on remineralizing and mechanical properties of experimental composite materials with amorphous calcium phosphate. CLINICAL ORAL INVESTIGATIONS, 18 (3). pp. 783-792. ISSN 1432-6981, 1436-3771

Martinez-Casado, Ruth and Usvyat, Denis and Maschio, Lorenzo and Mallia, Giuseppe and Casassa, Silvia and Ellis, John and Schuetz, Martin and Harrison, Nicholas M. (2014) Approaching an exact treatment of electronic correlations at solid surfaces: The binding energy of the lowest bound state of helium adsorbed on MgO(100). PHYSICAL REVIEW B, 89 (20): 205138. ISSN 2469-9950, 2469-9969

Mazur, Kamila and Buchner, Richard and Bonn, Mischa and Hunger, Johannes (2014) Hydration of Sodium Alginate in Aqueous Solution. MACROMOLECULES, 47 (2). pp. 771-776. ISSN 0024-9297, 1520-5835

Moeser, Beate and Horinek, Dominik (2014) Unified Description of Urea Denaturation: Backbone and Side Chains Contribute Equally in the Transfer Model. JOURNAL OF PHYSICAL CHEMISTRY B, 118 (1). pp. 107-114. ISSN 1520-6106

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Pershin, Anton and Donets, Sergii and Baeurle, Stephan A. (2014) Performance enhancement of block-copolymer solar cells through tapering the donor-acceptor interface: A multiscale Study. POLYMER, 55 (6). pp. 1507-1513. ISSN 0032-3861, 1873-2291

Prokhorov, Anton M. and Hofbeck, Thomas and Czerwieniec, Rafal and Suleymanova, Alfiya F. and Kozhevnikov, Dmitry N. and Yersin, Hartmut (2014) Brightly Luminescent Pt(II) Pincer Complexes with a Sterically Demanding Carboranyl-Phenylpyridine Ligand: A New Material Class for Diverse Optoelectronic Applications. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 136 (27). pp. 9637-9642. ISSN 0002-7863

R

Reinisch, Jens and Klamt, Andreas (2014) Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 28 (3). pp. 169-173. ISSN 0920-654X, 1573-4951

Rengstl, Doris and Kraus, Birgit and Van Vorst, Matthew and Elliott, Gloria D. and Kunz, Werner (2014) Effect of choline carboxylate ionic liquids on biological membranes. COLLOIDS AND SURFACES B-BIOINTERFACES, 123. pp. 575-581. ISSN 0927-7765, 1873-4367

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Tiddy, Gordon J. T. and Durand, Alain and Solans, Conxita and Kunz, Werner and Rodriguez-Abreu, Carlos (2014) Editorial - Untitled. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 458. pp. 1-2. ISSN 0927-7757, 1873-4359