Pavlo O. Dral - Dissemin

Papers authored by Pavlo O. Dral

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2016 Pavlo O. Dral

, Xin Wu, Lasse Spoerkel, Lasse Spörkel, Axel Koslowski, Wolfgang Weber, Rainer Steiger, Mirjam Scholten, Walter Thiel

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters

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Ute Meinhardt, Fabian Lodermeyer, Tobias A. Schaub, Andreas Kunzmann, Pavlo O. Dral

, Anna Chiara Sale, Frank Hampel, Dirk M. Guldi, Ruben D. Costa

, Milan Kivala

N-Heterotriangulene chromophores with 4-pyridyl anchors for dye-sensitized solar cells

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2015 Pavlo O. Dral

, O. Anatole von Lilienfeld, Walter Thiel

Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations

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Raghunathan Ramakrishnan, Pavlo O. Dral

, Matthias Rupp

, O. Anatole von Lilienfeld, O. Anatole von Lilienfeld

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

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2014 Raghunathan Ramakrishnan, Pavlo O. Dral

, Matthias Rupp

, O. Anatole von Lilienfeld, O. Anatole von Lilienfeld

Quantum chemistry structures and properties of 134 kilo molecules

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Pavlo O. Dral

The unrestricted local properties: application in nanoelectronics and for predicting radicals reactivity

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2012 Pavlo O. Dral

, Milan Kivala, Tim Clark

Doped polycyclic aromatic hydrocarbons as building blocks for nanoelectronics: a theoretical study

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Alina Ciammaichella, Pavlo O. Dral

, Tim Clark

, Pietro Tagliatesta, Michael Sekita, Dirk M. Guldi

A π-stacked porphyrin-fullerene electron donor-acceptor conjugate that features a surprising frozen geometry

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Michael Salinas, Christof M. Jager, Atefeh Y. Amin, Pavlo O. Dral

, Timo Meyer-Friedrichsen, Andreas Hirsch, Tim Clark

, Marcus Halik

The relationship between threshold voltage and dipolar character of self-assembled monolayers in organic thin-film transistors

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2011 Pavlo O. Dral

, Tim Clark

Semiempirical UNO–CAS and UNO–CI: method and applications in nanoelectronics

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Pavlo O. Dral

, Tatyana E. Shubina, Andreas Hirsch, Tim Clark

Influence of electron doping on the hydrogenation of fullerene C60: a theoretical investigation

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2009 Andrey A. Fokin, Tatyana S. Zhuk, Alexander E. Pashenko, Pavlo O. Dral

, Pavel A. Gunchenko, Jeremy E. P. Dahl, Robert M. K. Carlson, Tatyana V. Koso, Michael Serafin, Peter R. Schreiner

Oxygen-Doped Nanodiamonds: Synthesis and Functionalizations †

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Papers authored by Pavlo O. Dral