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A. Daniel Boese

Nawi Graz AT

ORCID iD 0000-0001-7388-778X
125
Publications
6,555
Citations
29
H-Index
60
i10-Index
21.87
2yr Mean Cite
-
Cite/Paper
Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar
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Publication & Citation Trends

Most Cited Works

Development of density functionals for thermochemical kinetics OA
A. Daniel Boese, Jan M. L. Martin
The Journal of Chemical Physics 2004
1,510
A new parametrization of exchange–correlation generalized gradient approximation functionals
A. Daniel Boese, Nicholas C. Handy
The Journal of Chemical Physics 2001
714
Report on the sixth blind test of organic crystal structure prediction methods OA
Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Saswata Bhattacharya, A. Daniel Boese +87 more
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials 2016
598
New exchange-correlation density functionals: The role of the kinetic-energy density
A. Daniel Boese, Nicholas C. Handy
The Journal of Chemical Physics 2002
510
New generalized gradient approximation functionals
A. Daniel Boese, Nikos L. Doltsinis, Nicholas C. Handy, Michiel Sprik
The Journal of Chemical Physics 2000
363

Publications

125 total

Closed-loop recyclability of a biomass-derived epoxy-amine thermoset by methanolysis PDF

Xianyuan Wu, Péter Hartmann, Dimitri Berne, Mario De bruyn, Florian Cuminet et al. - Science, 2024
Cited by 141 OpenAlex

How to control single-molecule rotation PDF

Grant J. Simpson, Víctor García‐López, A. Daniel Boese, James M. Tour, Leonhard Grill - Nature Communications, 2019
Cited by 89 OpenAlex

Revised values for the X23 benchmark set of molecular crystals PDF

Grygoriy Dolgonos, Johannes Hoja, A. Daniel Boese - Physical Chemistry Chemical Physics, 2019
Cited by 73 OpenAlex

Report on the sixth blind test of organic crystal structure prediction methods PDF

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Saswata Bhattacharya, A. Daniel Boese et al. - Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, 2016
Cited by 598 OpenAlex

Density Functional Theory and Hydrogen Bonds: Are We There Yet?

A. Daniel Boese - ChemPhysChem, 2015
Cited by 210 OpenAlex

Accurate adsorption energies of small molecules on oxide surfaces: CO–MgO(001)

A. Daniel Boese, Joachim Sauer - Physical Chemistry Chemical Physics, 2013
Cited by 80 OpenAlex

Basis Set Limit Coupled Cluster Study of H-Bonded Systems and Assessment of More Approximate Methods

A. Daniel Boese, Jan M. L. Martin, Wim Klopper - The Journal of Physical Chemistry A, 2007
Cited by 86 OpenAlex

Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions

Miriam M. Quintal, Amir Karton, Mark A. Iron, A. Daniel Boese, Jan M. L. Martin - The Journal of Physical Chemistry A, 2005
Cited by 266 OpenAlex

Development of density functionals for thermochemical kinetics PDF

A. Daniel Boese, Jan M. L. Martin - The Journal of Chemical Physics, 2004
Cited by 1,510 OpenAlex

From <i>ab initio</i> quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia PDF

A. Daniel Boese, Amalendu Chandra, Jan M. L. Martin, Dominik Marx - The Journal of Chemical Physics, 2003
Cited by 164 OpenAlex

Research Topics

Advanced Chemical Physics Studies (44) X-ray Diffraction in Crystallography (32) Crystallography and molecular interactions (29) Crystallization and Solubility Studies (24) Chemical Thermodynamics and Molecular Structure (14)

Frequent Co-Authors

JA
Jan M. L. Martin
5 joint publications
NI
Nicholas C. Handy
4 joint publications
JO
Johannes Hoja
2 joint publications
AN
Anthony M. Reilly
1 joint publication
RI
Richard I. Cooper
1 joint publication
CL
Claire S. Adjiman
1 joint publication

Affiliations

Karlsruhe Institute of Technology
DE 2009 - 2009
University of Graz
AT 2025 - 2015
University of Potsdam
DE 2016 - 2013
University of Cambridge
GB 2002 - 2000
Humboldt-Universität zu Berlin
DE 2017 - 2011

External Profiles

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