Bernd Engels - RankMe

20 papers Journal 20

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	Structure and bonding of proximity-enforced main-group dimers stabilized by a rigid naphthyridine diimine ligand. J. Comput. Chem. Jonas Weiser, Jingjing Cui, Rian D. Dewhurst, Holger Braunschweig, Bernd Engels, Felipe Fantuzzi
2018	J	`jnl`	A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates. J. Comput. Chem. Wenlan Liu, Sofia Canola, Andreas Köhn, Bernd Engels, Fabrizia Negri, Reinhold F. Fink
2018	J	`jnl`	Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110). J. Comput. Chem. Jaita Banerjee, Stefan Behnle, Martin C. E. Galbraith, Volker Settels, Bernd Engels, Ralf Tonner, Reinhold F. Fink
2016	J	`jnl`	A theoretical description of charge reorganization energies in molecular organic P-type semiconductors. J. Comput. Chem. Charlotte Brückner, Bernd Engels
2016	J	`jnl`	Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap. J. Comput. Chem. Vera Stehr, Reinhold F. Fink, Carsten Deibel, Bernd Engels
2016	J	`jnl`	Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials. J. Comput. Chem. Daniel Bellinger, Volker Settels, Wenlan Liu, Reinhold F. Fink, Bernd Engels
2014	J	`jnl`	CAST: A new program package for the accurate characterization of large and flexible molecular systems. J. Comput. Chem. Christoph Grebner, Johannes Becker, Daniel Weber, Daniel Bellinger, Maxim Tafipolski, Charlotte Brückner, Bernd Engels
2013	J	`jnl`	PathOpt - A global transition state search approach: Outline of algorithm. J. Comput. Chem. Christoph Grebner, Lukas P. Pason, Bernd Engels
2012	J	`jnl`	Comparison of the electronic structure of different perylene-based dye-aggregates. J. Comput. Chem. Volker Settels, Wenlan Liu, Jens Pflaum, Reinhold F. Fink, Bernd Engels
2012	J	`jnl`	Tabu search based global optimization algorithms for problems in computational chemistry. J. Cheminformatics Christoph Grebner, Johannes Becker, Daniel Weber, Bernd Engels
2011	J	`jnl`	Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates. J. Comput. Chem. Wenlan Liu, Volker Settels, Philipp H. P. Harbach, Andreas Dreuw, Reinhold F. Fink, Bernd Engels
2011	J	`jnl`	Efficiency of tabu-search-based conformational search algorithms. J. Comput. Chem. Christoph Grebner, Johannes Becker, Svetlana Stepanenko, Bernd Engels
2010	J	`jnl`	Predicting the tautomeric equilibrium of acetylacetone in solution. I. The right answer for the wrong reason? J. Comput. Chem. Sebastian Schlund, Eline M. Basílio Janke, Klaus Weisz, Bernd Engels
2008	J	`jnl`	Conformational analysis of arginine in gas phase - A strategy for scanning the potential energy surface effectively. J. Comput. Chem. Sebastian Schlund, Robert Müller, Carsten Graßmann, Bernd Engels
2008	J	`jnl`	New Tabu Search based global optimization methods outline of algorithms and study of efficiency. J. Comput. Chem. Svetlana Stepanenko, Bernd Engels
2007	J	`jnl`	Gradient tabu search. J. Comput. Chem. Svetlana Stepanenko, Bernd Engels
2006	J	`jnl`	DIESEL-MP2: A new program to perform large-scale multireference-MP2 computations. J. Comput. Chem. Patrick Musch, Bernd Engels
2005	J	`jnl`	YANA - a software tool for analyzing flux modes, gene-expression and enzyme activities. BMC Bioinform. Roland Schwarz, Patrick Musch, Axel von Kamp, Bernd Engels, R. Heiner Schirmer, Stefan Schuster, Thomas Dandekar
2003	J	`jnl`	Special Section: Closed-Loop Supply Chains: Practice and Potential: Closed-Loop Supply Chains for Spent Batteries. Interfaces Frank Schultmann, Bernd Engels, Otto Rentz
2001	J	`jnl`	Individually Selecting Multi-reference CI and Its Application to Biradicalic Cyclizations. Comput. Chem. Bernd Engels, Michael Hanrath, Christian Lennartz