| Year |
Citation |
Score |
| 2022 |
Szabadi A, Honegger P, Schöfbeck F, Sappl M, Heid E, Steinhauser O, Schröder C. Collectivity in ionic liquids: a temperature dependent, polarizable molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. PMID 35758401 DOI: 10.1039/d2cp00898j |
0.32 |
|
| 2020 |
Honegger P, Heid E, Schröder C, Steinhauser O. Dielectric spectroscopy and time dependent Stokes shift: two faces of the same coin? Physical Chemistry Chemical Physics : Pccp. 22: 18388-18399. PMID 32797139 DOI: 10.1039/D0Cp02840A |
0.404 |
|
| 2020 |
Honegger P, Overbeck V, Strate A, Appelhagen A, Sappl M, Heid E, Schröder C, Ludwig R, Steinhauser O. Understanding the Nature of Nuclear Magnetic Resonance Relaxation by Means of Fast-Field-Cycling Relaxometry and Molecular Dynamics Simulations-The Validity of Relaxation Models. The Journal of Physical Chemistry Letters. 2165-2170. PMID 32105075 DOI: 10.1021/Acs.Jpclett.0C00087 |
0.408 |
|
| 2020 |
Honegger P, Steinhauser O. The nuclear Overhauser Effect (NOE) as a tool to study macromolecular confinement: Elucidation and disentangling of crowding and encapsulation effects. The Journal of Chemical Physics. 152: 024120. PMID 31941328 DOI: 10.1063/1.5135816 |
0.348 |
|
| 2019 |
Honegger P, Steinhauser O. The protein-water nuclear Overhauser effect (NOE) as an indirect microscope for molecular surface mapping of interaction patterns. Physical Chemistry Chemical Physics : Pccp. 22: 212-222. PMID 31799520 DOI: 10.1039/C9Cp04752B |
0.386 |
|
| 2019 |
Honegger P, Steinhauser O. Hydration dynamics of proteins in reverse micelles probed by H-NOESY/H-ROESY NMR and O-nuclear quadrupole resonance (NQR). Physical Chemistry Chemical Physics : Pccp. PMID 31237595 DOI: 10.1039/C9Cp02654A |
0.429 |
|
| 2019 |
Heid E, Honegger P, Braun D, Szabadi A, Stankovic T, Steinhauser O, Schröder C. Computational spectroscopy of trehalose, sucrose, maltose, and glucose: A comprehensive study of TDSS, NQR, NOE, and DRS. The Journal of Chemical Physics. 150: 175102. PMID 31067863 DOI: 10.1063/1.5095058 |
0.453 |
|
| 2019 |
Honegger P, Steinhauser O. Towards capturing cellular complexity: combining encapsulation and macromolecular crowding in a reverse micelle. Physical Chemistry Chemical Physics : Pccp. 21: 8108-8120. PMID 30932109 DOI: 10.1039/C9Cp00053D |
0.423 |
|
| 2019 |
Honegger P, Heid E, Schmode S, Schröder C, Steinhauser O. Changes in protein hydration dynamics by encapsulation or crowding of ubiquitin: strong correlation between time-dependent Stokes shift and intermolecular nuclear Overhauser effect Rsc Advances. 9: 36982-36993. DOI: 10.1039/C9Ra08008B |
0.363 |
|
| 2018 |
Zeindlhofer V, Berger M, Steinhauser O, Schröder C. A shell-resolved analysis of preferential solvation of coffee ingredients in aqueous mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetate. The Journal of Chemical Physics. 148: 193819. PMID 30307218 DOI: 10.1063/1.5009802 |
0.406 |
|
| 2018 |
Honegger P, Steinhauser O. Revival of collective water structure and dynamics in reverse micelles brought about by protein encapsulation. Physical Chemistry Chemical Physics : Pccp. PMID 30152824 DOI: 10.1039/C8Cp03422B |
0.446 |
|
| 2018 |
Honegger P, Schmollngruber M, Steinhauser O. Macromolecular crowding and the importance of proper hydration for the structure and dynamics of protein solutions. Physical Chemistry Chemical Physics : Pccp. PMID 30009286 DOI: 10.1039/C8Cp02360C |
0.412 |
|
| 2018 |
Heid E, Docampo-Álvarez B, Varela LM, Prosenz K, Steinhauser O, Schröder C. Langevin behavior of the dielectric decrement in ionic liquid water mixtures. Physical Chemistry Chemical Physics : Pccp. 20: 15106-15117. PMID 29808190 DOI: 10.1039/C8Cp02111B |
0.453 |
|
| 2018 |
Honegger P, Schmollngruber M, Steinhauser O. Micellar confinement disrupts collective structure and accelerates collective dynamics of encapsulated water. Physical Chemistry Chemical Physics : Pccp. PMID 29645030 DOI: 10.1039/C8Cp01508B |
0.492 |
|
| 2018 |
Honegger P, Schmollngruber M, Hagn G, Baig O, von Baeckmann C, Steinhauser O, Schröder C. Molecular dynamics simulation of aqueous 1‑dodecyl‑3‑methylimidazolium chloride: Emerging micelles Journal of Molecular Liquids. 272: 766-777. DOI: 10.1016/J.Molliq.2018.09.110 |
0.474 |
|
| 2017 |
Braun D, Schmollngruber M, Steinhauser O. Towards a complete characterization of the δ-dispersion in dielectric spectroscopy of protein-water systems. Physical Chemistry Chemical Physics : Pccp. PMID 28956576 DOI: 10.1039/C7Cp05216B |
0.485 |
|
| 2017 |
Braun D, Schmollngruber M, Steinhauser O. Revival of the Intermolecular Nuclear Overhauser Effect for Mapping Local Protein Hydration Dynamics. The Journal of Physical Chemistry Letters. PMID 28686451 DOI: 10.1021/Acs.Jpclett.7B01013 |
0.404 |
|
| 2016 |
Schmollngruber M, Braun D, Steinhauser O. A computational component analysis of dielectric relaxation and THz spectra of water/AOT reverse micelles with different water loading. The Journal of Chemical Physics. 145: 214702. PMID 28799371 DOI: 10.1063/1.4971165 |
0.448 |
|
| 2016 |
Schmollngruber M, Braun D, Steinhauser O. Combining non-equilibrium simulations and coarse-grained modelling allows for a fine-grained decomposition of solvation dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 27805188 DOI: 10.1039/C6Cp06282B |
0.46 |
|
| 2016 |
Braun D, Schmollngruber M, Steinhauser O. Rotational dynamics of water molecules near biological surfaces with implications for nuclear quadrupole relaxation. Physical Chemistry Chemical Physics : Pccp. PMID 27546227 DOI: 10.1039/C6Cp04000D |
0.481 |
|
| 2016 |
Schröder C, Steinhauser O. Charged, dipolar soft matter systems from a combined microscopic-mesoscopic viewpoint. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 344008. PMID 27376788 DOI: 10.1088/0953-8984/28/34/344008 |
0.413 |
|
| 2016 |
Schmollngruber M, Braun D, Oser D, Steinhauser O. Dielectric depolarisation and concerted collective dynamics in AOT reverse micelles with and without ubiquitin. Physical Chemistry Chemical Physics : Pccp. PMID 26751837 DOI: 10.1039/C5Cp07112G |
0.48 |
|
| 2015 |
Bernardes CE, Shimizu K, Lopes JN, Marquetand P, Heid E, Steinhauser O, Schröder C. Additive polarizabilities in ionic liquids. Physical Chemistry Chemical Physics : Pccp. PMID 26675139 DOI: 10.1039/C5Cp06595J |
0.352 |
|
| 2015 |
Braun D, Steinhauser O. The intermolecular NOE is strongly influenced by dynamics. Physical Chemistry Chemical Physics : Pccp. 17: 8509-17. PMID 25692772 DOI: 10.1039/C4Cp04779F |
0.335 |
|
| 2015 |
Schmollngruber M, Lesch V, Schröder C, Heuer A, Steinhauser O. Comparing induced point-dipoles and Drude oscillators. Physical Chemistry Chemical Physics : Pccp. 17: 14297-306. PMID 25425140 DOI: 10.1039/C4Cp04512B |
0.402 |
|
| 2014 |
Schröder C, Sega M, Schmollngruber M, Gailberger E, Braun D, Steinhauser O. On the collective network of ionic liquid/water mixtures. IV. Kinetic and rotational depolarization. The Journal of Chemical Physics. 140: 204505. PMID 24880299 DOI: 10.1063/1.4878116 |
0.447 |
|
| 2014 |
Gabl S, Schröder C, Braun D, Weingärtner H, Steinhauser O. Pair dynamics and the intermolecular nuclear Overhauser effect (NOE) in liquids analysed by simulation and model theories: application to an ionic liquid. The Journal of Chemical Physics. 140: 184503. PMID 24832284 DOI: 10.1063/1.4874155 |
0.447 |
|
| 2014 |
Schmollngruber M, Schröder C, Steinhauser O. Dielectric spectra of ionic liquids and their conversion to solvation dynamics: a detailed computational analysis of polarizable systems. Physical Chemistry Chemical Physics : Pccp. 16: 10999-1009. PMID 24770876 DOI: 10.1039/C4Cp01236D |
0.496 |
|
| 2014 |
Braun D, Boresch S, Steinhauser O. Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models. The Journal of Chemical Physics. 140: 064107. PMID 24527900 DOI: 10.1063/1.4864117 |
0.715 |
|
| 2013 |
Gabl S, Steinhauser O, Weingärtner H. From short-range to long-range intermolecular NOEs in ionic liquids: frequency does matter. Angewandte Chemie (International Ed. in English). 52: 9242-6. PMID 23776138 DOI: 10.1002/Anie.201302712 |
0.309 |
|
| 2013 |
Schmollngruber M, Schröder C, Steinhauser O. Polarization effects on the solvation dynamics of coumarin C153 in ionic liquids: components and their cross-correlations. The Journal of Chemical Physics. 138: 204504. PMID 23742490 DOI: 10.1063/1.4807013 |
0.442 |
|
| 2013 |
Taylor T, Schmollngruber M, Schröder C, Steinhauser O. The effect of Thole functions on the simulation of ionic liquids with point induced dipoles at various densities. The Journal of Chemical Physics. 138: 204119. PMID 23742466 DOI: 10.1063/1.4807093 |
0.427 |
|
| 2013 |
Gabl S, Steinhauser O, Weingärtner H. Cover Picture: From Short-Range to Long-Range Intermolecular NOEs in Ionic Liquids: Frequency Does Matter (Angew. Chem. Int. Ed. 35/2013) Angewandte Chemie International Edition. 52: 9051-9051. DOI: 10.1002/Anie.201305786 |
0.314 |
|
| 2013 |
Gabl S, Steinhauser O, Weingärtner H. Titelbild: From Short‐Range to Long‐Range Intermolecular NOEs in Ionic Liquids: Frequency Does Matter (Angew. Chem. 35/2013) Angewandte Chemie. 125: 9221-9221. DOI: 10.1002/Ange.201305786 |
0.309 |
|
| 2012 |
Haberler M, Schröder C, Steinhauser O. Hydrated Ionic Liquids with and without Solute: The Influence of Water Content and Protein Solutes. Journal of Chemical Theory and Computation. 8: 3911-28. PMID 26593031 DOI: 10.1021/Ct300191S |
0.438 |
|
| 2012 |
Gabl S, Schröder C, Steinhauser O. Computational studies of ionic liquids: size does matter and time too. The Journal of Chemical Physics. 137: 094501. PMID 22957575 DOI: 10.1063/1.4748352 |
0.415 |
|
| 2011 |
Haberler M, Steinhauser O. On the influence of hydrated ionic liquids on the dynamical structure of model proteins: a computational study. Physical Chemistry Chemical Physics : Pccp. 13: 17994-8004. PMID 21912793 DOI: 10.1039/C1Cp22266J |
0.509 |
|
| 2011 |
Schröder C, Sonnleitner T, Buchner R, Steinhauser O. The influence of polarizability on the dielectric spectrum of the ionic liquid 1-ethyl-3-methylimidazolium triflate. Physical Chemistry Chemical Physics : Pccp. 13: 12240-8. PMID 21643580 DOI: 10.1039/C1Cp20559E |
0.406 |
|
| 2011 |
Haberler M, Schröder C, Steinhauser O. Solvation studies of a zinc finger protein in hydrated ionic liquids. Physical Chemistry Chemical Physics : Pccp. 13: 6955-69. PMID 21390358 DOI: 10.1039/C0Cp02487B |
0.508 |
|
| 2010 |
Schröder C, Steinhauser O. Simulating polarizable molecular ionic liquids with Drude oscillators. The Journal of Chemical Physics. 133: 154511. PMID 20969407 DOI: 10.1063/1.3493689 |
0.437 |
|
| 2010 |
Neumayr G, Rudas T, Steinhauser O. Global and local Voronoi analysis of solvation shells of proteins. The Journal of Chemical Physics. 133: 084108. PMID 20815561 DOI: 10.1063/1.3471383 |
0.471 |
|
| 2010 |
Schröder C, Steinhauser O. Using fit functions in computational dielectric spectroscopy. The Journal of Chemical Physics. 132: 244109. PMID 20590183 DOI: 10.1063/1.3432620 |
0.39 |
|
| 2009 |
Neumayr G, Schröder C, Steinhauser O. Relaxation of Voronoi shells in hydrated molecular ionic liquids. The Journal of Chemical Physics. 131: 174509. PMID 19895027 DOI: 10.1063/1.3256003 |
0.457 |
|
| 2009 |
Schröder C, Steinhauser O. On the dielectric conductivity of molecular ionic liquids. The Journal of Chemical Physics. 131: 114504. PMID 19778126 DOI: 10.1063/1.3220069 |
0.424 |
|
| 2009 |
Schröder C, Neumayr G, Steinhauser O. On the collective network of ionic liquid/water mixtures. III. Structural analysis of ionic liquids on the basis of Voronoi decomposition. The Journal of Chemical Physics. 130: 194503. PMID 19466839 DOI: 10.1063/1.3127782 |
0.439 |
|
| 2008 |
Schröder C, Hunger J, Stoppa A, Buchner R, Steinhauser O. On the collective network of ionic liquid/water mixtures. II. Decomposition and interpretation of dielectric spectra. The Journal of Chemical Physics. 129: 184501. PMID 19045408 DOI: 10.1063/1.3002563 |
0.471 |
|
| 2008 |
Schröder C, Steinhauser O. The influence of electrostatic forces on the structure and dynamics of molecular ionic liquids. The Journal of Chemical Physics. 128: 224503. PMID 18554025 DOI: 10.1063/1.2929848 |
0.395 |
|
| 2008 |
Schröder C, Haberler M, Steinhauser O. On the computation and contribution of conductivity in molecular ionic liquids. The Journal of Chemical Physics. 128: 134501. PMID 18397071 DOI: 10.1063/1.2868752 |
0.451 |
|
| 2008 |
Omasits U, Knapp B, Neumann M, Steinhauser O, Stockinger H, Kobler R, Schreiner W. Analysis of key parameters for molecular dynamics of pMHC molecules Molecular Simulation. 34: 781-793. DOI: 10.1080/08927020802256298 |
0.367 |
|
| 2007 |
Schröder C, Rudas T, Neumayr G, Benkner S, Steinhauser O. On the collective network of ionic liquid/water mixtures. I. Orientational structure. The Journal of Chemical Physics. 127: 234503. PMID 18154396 DOI: 10.1063/1.2805074 |
0.426 |
|
| 2007 |
Schröder C, Rudas T, Neumayr G, Gansterer W, Steinhauser O. Impact of anisotropy on the structure and dynamics of ionic liquids: a computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate. The Journal of Chemical Physics. 127: 044505. PMID 17672705 DOI: 10.1063/1.2754690 |
0.445 |
|
| 2007 |
Schröder C, Wakai C, Weingärtner H, Steinhauser O. Collective rotational dynamics in ionic liquids: a computational and experimental study of 1-butyl-3-methyl-imidazolium tetrafluoroborate. The Journal of Chemical Physics. 126: 084511. PMID 17343462 DOI: 10.1063/1.2464057 |
0.392 |
|
| 2006 |
Schröder C, Rudas T, Steinhauser O. Simulation studies of ionic liquids: orientational correlations and static dielectric properties. The Journal of Chemical Physics. 125: 244506. PMID 17199354 DOI: 10.1063/1.2404674 |
0.428 |
|
| 2006 |
Rudas T, Schröder C, Boresch S, Steinhauser O. Simulation studies of the protein-water interface. II. Properties at the mesoscopic resolution. The Journal of Chemical Physics. 124: 234908. PMID 16821954 DOI: 10.1063/1.2198804 |
0.712 |
|
| 2006 |
Schröder C, Rudas T, Boresch S, Steinhauser O. Simulation studies of the protein-water interface. I. Properties at the molecular resolution. The Journal of Chemical Physics. 124: 234907. PMID 16821953 DOI: 10.1063/1.2198802 |
0.679 |
|
| 2004 |
Boresch S, Willensdorfer M, Steinhauser O. A molecular dynamics study of the dielectric properties of aqueous solutions of alanine and alanine dipeptide. The Journal of Chemical Physics. 120: 3333-47. PMID 15268487 DOI: 10.1063/1.1640996 |
0.706 |
|
| 2001 |
Höfinger S, Steinhauser O. Making use of Connolly's molecular surface program in the isodensity adapted polarizable continuum model Journal of Chemical Physics. 115: 10636-10646. DOI: 10.1063/1.1421365 |
0.361 |
|
| 2001 |
Boresch S, Steinhauser O. The dielectric self-consistent field method. II. Application to the study of finite range effects Journal of Chemical Physics. 115: 10793-10807. DOI: 10.1063/1.1421360 |
0.675 |
|
| 2001 |
Boresch S, Steinhauser O. The dielectric self-consistent field method. I. Highways, byways, and illustrative results Journal of Chemical Physics. 115: 10780-10792. DOI: 10.1063/1.1421359 |
0.708 |
|
| 2001 |
Weingärtner H, Knocks A, Boresch S, Höchtl P, Steinhauser O. Dielectric spectroscopy in aqueous solutions of oligosaccharides: Experiment meets simulation Journal of Chemical Physics. 115: 1463-1472. DOI: 10.1063/1.1380205 |
0.695 |
|
| 2001 |
Boresch S, Steinhauser O, Nandi N, Bagchi B. Comments on "anomalous dielectric relaxation of aqueous protein solutions" by Nilashis Nandi and Biman Bagchi (J. Phys. Chem. A 1998, 102, 8217) (multiple letters) Journal of Physical Chemistry A. 105: 5507-5510. DOI: 10.1021/Jp003489R |
0.666 |
|
| 2000 |
Höchtl P, Boresch S, Steinhauser O. Dielectric properties of glucose and maltose solutions Journal of Chemical Physics. 112: 9810-9821. DOI: 10.1063/1.481619 |
0.702 |
|
| 2000 |
Boresch S, Höchtl P, Steinhauser O. Studying the dielectric properties of a protein solution by computer simulation Journal of Physical Chemistry B. 104: 8743-8752. DOI: 10.1021/Jp0008905 |
0.708 |
|
| 1999 |
Boresch S, Ringhofer S, Höchtl P, Steinhauser O. Towards a better description and understanding of biomolecular solvation. Biophysical Chemistry. 78: 43-68. PMID 17030304 DOI: 10.1016/S0301-4622(98)00235-X |
0.721 |
|
| 1999 |
Ringhofer S, Kallen J, Dutzler R, Billich A, Visser AJ, Scholz D, Steinhauser O, Schreiber H, Auer M, Kungl AJ. X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations. Journal of Molecular Biology. 286: 1147-59. PMID 10047488 DOI: 10.1006/Jmbi.1998.2533 |
0.342 |
|
| 1999 |
Boresch S, Steinhauser O. Rationalizing the effects of modified electrostatic interactions in computer simulations: The dielectric self-consistent field method Journal of Chemical Physics. 111: 8271-8274. DOI: 10.1063/1.480170 |
0.688 |
|
| 1999 |
Ringhofer S, Schreiber H, Steinhauser O. A molecular dynamics simulation study of the unfolding of barnase induced by reaction field perturbation Physical Chemistry Chemical Physics. 1: 4355-4370. DOI: 10.1039/A903413G |
0.452 |
|
| 1998 |
Höchtl P, Boresch S, Bitomsky W, Steinhauser O. Rationalization of the dielectric properties of common three-site water models in terms of their force field parameters Journal of Chemical Physics. 109: 4927-4937. DOI: 10.1063/1.477104 |
0.652 |
|
| 1997 |
Löffler G, Schreiber H, Steinhauser O. Calculation of the dielectric properties of a protein and its solvent: theory and a case study. Journal of Molecular Biology. 270: 520-34. PMID 9237916 DOI: 10.1006/Jmbi.1997.1130 |
0.453 |
|
| 1997 |
Löffler G, Schreiber H, Steinhauser O. The frequency-dependent conductivity of a saturated solution of ZnBr2 in water: A molecular dynamics simulation Journal of Chemical Physics. 107: 3135-3143. DOI: 10.1063/1.474703 |
0.469 |
|
| 1997 |
Lüdemann S, Abseher R, Schreiber H, Steinhauser O. The temperature-dependence of hydrophobic association in water. Pair versus bulk hydrophobic interactions Journal of the American Chemical Society. 119: 4206-4213. DOI: 10.1021/Ja953439D |
0.313 |
|
| 1997 |
Steinhauser O, Schreiber H, Löffler G, Kleinert W. Parallel biomolecular simulation: Theory, algorithms and implementation Simulation Practice and Theory. 5: 573-603. DOI: 10.1016/S0928-4869(97)00025-6 |
0.359 |
|
| 1997 |
Boresch S, Steinhauser O. Presumed versus real artifacts of the ewald summation technique: The importance of dielectric boundary conditions Berichte Der Bunsengesellschaft/Physical Chemistry Chemical Physics. 101: 1019-1029. |
0.575 |
|
| 1996 |
Abseher R, Schreiber H, Steinhauser O. The influence of a protein on water dynamics in its vicinity investigated by molecular dynamics simulation. Proteins. 25: 366-78. PMID 8844871 DOI: 10.1002/(Sici)1097-0134(199607)25:3<366::Aid-Prot8>3.0.Co;2-D |
0.451 |
|
| 1996 |
Löffler G, Mager T, Gerner C, Schreiber H, Bertagnolli H, Steinhauser O. Static and dynamic structural analysis of a saturated solution of ZnBr2in water: Anomalous x‐ray diffraction and molecular dynamics simulations The Journal of Chemical Physics. 104: 7239-7248. DOI: 10.1063/1.471405 |
0.474 |
|
| 1996 |
Lüdemann S, Schreiber H, Abseher R, Steinhauser O. The influence of temperature on pairwise hydrophobic interactions of methane-like particles: A molecular dynamics study of free energy Journal of Chemical Physics. 104: 286-295. DOI: 10.1063/1.470899 |
0.389 |
|
| 1995 |
Abseher R, Lüdemann S, Schreiber H, Steinhauser O. NMR cross-relaxation investigated by molecular dynamics simulation: a case study of ubiquitin in solution. Journal of Molecular Biology. 249: 604-24. PMID 7783214 DOI: 10.1006/Jmbi.1995.0322 |
0.419 |
|
| 1994 |
Abseher R, Lüdemann S, Schreiber H, Steinhauser O. Influence of molecular motion on the accuracy of NMR-derived distances. A molecular dynamics study of two solvated model peptides Journal of the American Chemical Society. 116: 4006-4018. DOI: 10.1021/Ja00088A040 |
0.328 |
|
| 1992 |
Schreiber H, Steinhauser O. Cutoff size does strongly influence molecular dynamics results on solvated polypeptides. Biochemistry. 31: 5856-60. PMID 1610828 DOI: 10.1021/Bi00140A022 |
0.394 |
|
| 1992 |
Schreiber H, Steinhauser O, Schuster P. Parallel molecular dynamics of biomolecules Parallel Computing. 18: 557-573. DOI: 10.1016/0167-8191(92)90091-K |
0.475 |
|
| 1991 |
Steinhauser O, Boresch S, Bertagnolli H. Nonadditive Monte Carlo Simulation Of Liquid Hydrogen Chloride Difference Algorithm And Parallel Implementation Molecular Simulation. 7: 71-88. DOI: 10.1080/08927029108022449 |
0.641 |
|
| 1990 |
Steinhauser O, Boresch S, Bertagnolli H. The effect of density variation on the structure of liquid hydrogen chloride. A Monte Carlo study The Journal of Chemical Physics. 93: 2357-2363. DOI: 10.1063/1.459015 |
0.659 |
|
| 1987 |
Steinhauser O, Hausleithner I, Bertagnolli H. The binary system benzene-hexafluorobenzene studied by SSOZ theory and computer simulation. I. The charge symmetry model Chemical Physics. 111: 401-408. DOI: 10.1016/0301-0104(87)85087-5 |
0.363 |
|
| 1984 |
Neumann M, Steinhauser O, Stuart Pawley G. Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations Molecular Physics. 52: 97-113. DOI: 10.1080/00268978400101081 |
0.435 |
|
| 1984 |
Neumann M, Steinhauser O. Computer simulation and the dielectric constant of polarizable polar systems Chemical Physics Letters. 106: 563-569. DOI: 10.1016/0009-2614(84)85384-1 |
0.408 |
|
| 1983 |
Steinhauser O. On the dielectric theory and computer simulation of water Chemical Physics. 79: 465-482. DOI: 10.1016/0301-0104(83)85269-0 |
0.438 |
|
| 1983 |
Neumann M, Steinhauser O. On the calculation of the frequency-dependent dielectric constant in computer simulations Chemical Physics Letters. 102: 508-513. DOI: 10.1016/0009-2614(83)87455-7 |
0.409 |
|
| 1983 |
Neumann M, Steinhauser O. On the calculation of the dielectric constant using the Ewald-Kornfeld tensor Chemical Physics Letters. 95: 417-422. DOI: 10.1016/0009-2614(83)80585-5 |
0.384 |
|
| 1982 |
Steinhauser O. Computer simulation of polar liquids the influence of molecular shape Molecular Physics. 46: 827-837. DOI: 10.1080/00268978200101611 |
0.444 |
|
| 1982 |
Steinhauser O. Reaction field simulation of water Molecular Physics. 45: 335-348. DOI: 10.1080/00268978200100281 |
0.414 |
|
| 1981 |
Steinhauser O, Bertagnolli H. Molecular pair correlation function of liquid acetonitrile derived from perturbation theory with a computer-generated reference function Chemical Physics Letters. 78: 555-559. DOI: 10.1016/0009-2614(81)85257-8 |
0.336 |
|
| 1981 |
Steinhauser O. Single particle dynamics of liquid carbon disulfide Chemical Physics Letters. 82: 153-157. DOI: 10.1016/0009-2614(81)85127-5 |
0.381 |
|
| 1981 |
Steinhauser O, Bertagnolli H. Pair correlation functions of liquid CS2. A comparison between statistical-mechanical theories and computer simulation Chemical Physics Letters. 80: 89-93. DOI: 10.1016/0009-2614(81)80064-4 |
0.351 |
|
| 1980 |
Steinhauser O, Neumann M. Structure and dynamics of liquid carbon tetrachloride. A molecular dynamics study Molecular Physics. 40: 115-128. DOI: 10.1080/00268978000101331 |
0.404 |
|
| 1979 |
Steinhauser O, Neumann M. Structure of liquid carbon disulphide: A molecular dynamics study Molecular Physics. 37: 1921-1939. DOI: 10.1080/00268977900101411 |
0.388 |
|
| 1979 |
Neumann M, Vesely FJ, Steinhauser O, Schuster P. Solvation of large dipoles a molecular dynamics study II Molecular Physics. 37: 1725-1743. DOI: 10.1080/00268977900101281 |
0.565 |
|
| 1978 |
Neumann M, Vesely FJ, Steinhäuser O, Schuster P. Solvation of large dipoles I. A molecular dynamics study Molecular Physics. 35: 841-855. DOI: 10.1080/00268977800100621 |
0.548 |
|
| 1977 |
Steinhauser O, Schuster P. Multipole expansion of diatomic overlap - II. Application to some diatomic and polyatomic molecules Theoretica Chimica Acta. 46: 157-164. DOI: 10.1007/Bf00578225 |
0.448 |
|
| 1977 |
Steinhauser O, Schuster P. Multipole expansion of diatomic overlap - 1. The method and its application to LiH, Li2 and N2 Theoretica Chimica Acta. 45: 147-156. DOI: 10.1007/Bf00552549 |
0.468 |
|
| Show low-probability matches. |
