Items where Division is "Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie" and Year is 2010
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Bako, Imre and Megyes, Tuende and Balint, Szabolcs and Chihaia, Viorel and Bellissent-Funel, Marie-Claire and Krienke, Hartmut and Kopf, Andreas and Suh, Soong-Hyuck (2010) Hydrogen bonded network properties in liquid formamide. JOURNAL OF CHEMICAL PHYSICS, 132 (1): 014506. ISSN 0021-9606
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Eckert, Frank and Diedenhofen, Michael and Klamt, Andreas (2010) Towards a first principles prediction of pK(a): COSMO-RS and the cluster-continuum approach. MOLECULAR PHYSICS, 108 (3-4). pp. 229-241. ISSN 0026-8976
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Fyta, Maria and Kalcher, Immanuel and Dzubiella, Joachim and Vrbka, Lubos and Netz, Roland R. (2010) Ionic force field optimization based on single-ion and ion-pair solvation properties. JOURNAL OF CHEMICAL PHYSICS, 132 (2): 024911. ISSN 0021-9606
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Ho, Junming and Klamt, Andreas and Coote, c (2010) Comment on the Correct Use of Continuum Solvent Models. JOURNAL OF PHYSICAL CHEMISTRY A, 114 (51). pp. 13442-13444. ISSN 1089-5639
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Klamt, Andreas and Diedenhofen, Michael (2010) Blind prediction test of free energies of hydration with COSMO-RS. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 24 (4). pp. 357-360. ISSN 0920-654X
Klamt, Andreas and Diedenhofen, Michael (2010) Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 24 (6-7). pp. 621-625. ISSN 0920-654X
Klamt, Andreas and Eckert, Frank and Arlt, Wolfgang (2010) COSMO-RS: An Alternative to Simulation for Calculating Thermodynamic Properties of Liquid Mixtures. In: UNSPECIFIED Annual Review of Chemical and Biomolecular Engineering,, 1 . ANNUAL REVIEWS, PALO ALTO, pp. 101-122. ISBN 978-0-8243-5201-1
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Lima, Eduardo R. A. and Biscaia, Evaristo C. and Bostrom, Mathias and Tavares, Frederico W. (2010) Ion-specific thermodynamical properties of aqueous proteins. ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS, 82 (1). pp. 109-126. ISSN 0001-3765, 1678-2690
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Pluharova, Eva and Vrbka, Lubos and Jungwirth, Pavel (2010) Effect of Surface Pollution on Homogeneous Ice Nucleation: A Molecular Dynamics Study. JOURNAL OF PHYSICAL CHEMISTRY C, 114 (17). pp. 7831-7838. ISSN 1932-7447, 1932-7455
