Browse by ["viewname_eprint_publisher" not defined]

B

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

Bender, Carl M. and Weniger, Ernst Joachim (2001) Numerical evidence that the perturbation expansion for a non-Hermitian PT-symmetric Hamiltonian is Stieltjes. JOURNAL OF MATHEMATICAL PHYSICS, 42 (5). pp. 2167-2183. ISSN 0022-2488

Boehmer, Martin and Pampaloni, Francesco and Wahl, Michael and Rahn, Hans-Jürgen and Erdmann, Rainer and Enderlein, Joerg (2001) Time-resolved confocal scanning device for ultrasensitive fluorescence detection. REVIEW OF SCIENTIFIC INSTRUMENTS, 72 (11). pp. 4145-4152. ISSN 0034-6748

Bostrom, M. and Lima, E. R. A. and Tavares, F. W. and Ninham, B. W. (2008) The influence of ion binding and ion specific potentials on the double layer pressure between charged bilayers at low salt concentrations. JOURNAL OF CHEMICAL PHYSICS, 128 (13): 135104. ISSN 0021-9606, 1089-7690

C

Corriol, Cecile and Darling, George R. and Holloway, Stephen and Brenig, Wilhelm and Andrianov, Ivan and Klamroth, Tillmann and Saalfrank, Peter (2002) Theory of electron stimulated desorption and dissociation of CO at transition metals. JOURNAL OF CHEMICAL PHYSICS, 117 (9). pp. 4489-4498. ISSN 0021-9606

F

Feucht, Dominik C. and Hofmann, Matthias J. and Motschmann, Hubert (2019) Simultaneous measurement of the thickness and the lifetime of a foam lamella. REVIEW OF SCIENTIFIC INSTRUMENTS, 90 (12): 124102. ISSN 0034-6748, 1089-7623

Fischer, R. and Richardi, J. and Fries, P. H. and Krienke, H. (2002) The solvation of ions in acetonitrile and acetone. II. Monte Carlo simulations using polarizable solvent models. JOURNAL OF CHEMICAL PHYSICS, 117 (18). pp. 8467-8478. ISSN 0021-9606

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

H

Hoelzl, Christoph and Kibies, Patrick and Imoto, Sho and Frach, Roland and Suladze, Saba and Winter, Roland and Marx, Dominik and Horinek, Dominik and Kast, Stefan M. (2016) Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures. JOURNAL OF CHEMICAL PHYSICS, 144 (14): 144104. ISSN 0021-9606, 1089-7690

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

L

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

Loibl, Stefan and Schuetz, Martin (2012) NMR shielding tensors for density fitted local second-order Moller-Plesset perturbation theory using gauge including atomic orbitals. JOURNAL OF CHEMICAL PHYSICS, 137 (8): 084107. ISSN 0021-9606

N

Nest, Mathias and Saalfrank, Peter (2002) Open-system density matrix description of femtosecond laser desorption of electronically and vibrationally relaxing adsorbates: Single- and two-pulse scenarios. JOURNAL OF CHEMICAL PHYSICS, 116 (16). pp. 7189-7199. ISSN 0021-9606, 1089-7690

P

Pentlehner, D. and Slenczka, A. (2013) Electronic spectroscopy of 9,10-dichloroanthracene inside helium droplets. JOURNAL OF CHEMICAL PHYSICS, 138 (2): 024313. ISSN 0021-9606, 1089-7690

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

Peter, Emanuel K. (2017) Adaptive enhanced sampling with a path-variable for the simulation of protein folding and aggregation. JOURNAL OF CHEMICAL PHYSICS, 147 (21): 214902. ISSN 0021-9606, 1089-7690

R

Richardi, J. and Fries, P. H. and Krienke, H. (1998) The solvation of ions in acetonitrile and acetone: A molecular Ornstein-Zernike study. JOURNAL OF CHEMICAL PHYSICS, 108 (10). pp. 4079-4089. ISSN 0021-9606, 1089-7690

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

Schemmel, Dominik and Schuetz, Martin (2007) Phenol-water(1 <= n <= 3) revisited: An ab initio study on the photophysics of these clusters at the level of coupled cluster response theory. JOURNAL OF CHEMICAL PHYSICS, 127 (17): 174304. ISSN 0021-9606

Schoettl, Sebastian and Horinek, Dominik (2018) Salt effects in surfactant-free microemulsions. JOURNAL OF CHEMICAL PHYSICS, 148 (22): 222818. ISSN 0021-9606, 1089-7690

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

W

Waelz, Gero and Usvyat, Denis and Korona, Tatiana and Schuetz, Martin (2016) A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials. JOURNAL OF CHEMICAL PHYSICS, 144 (8): 084117. ISSN 0021-9606, 1089-7690

Weniger, Ernst Joachim (2004) Mathematical properties of a new Levin-type sequence transformation introduced by Cizek, Zamastil, and Skala. I. Algebraic theory. JOURNAL OF MATHEMATICAL PHYSICS, 45 (3). pp. 1209-1246. ISSN 0022-2488, 1089-7658