Publications of Dr. Philip Coppens

1. Single-Crystal-to-Single-Crystal E -> Z and Z -> E Isomerizations of 3-Chloroacrylic Acid within the Nanocavities of a Supramolecular Framework, Shao-Liang Zheng, Marc Messerschmidt, and Philip Coppens, Chem. Commun. (2007), in press.
2. Single-Crystal-to-Single-Crystal E to Z Isomerization of Tiglic Acid in a Supramolecular Framework, Philip Coppens, Shao-Liang Zheng, and Marc Messerschmidt, Acta Crystallogr. B (2007), in press.
3. A kHz Heat Load Shutter for White-Beam Experiments at Synchrotron Sources, Milan Gembicky, Shin-Ichi Adachi and Philip Coppens, J. Synchrotron Rad. 14, 295-296 (2007).
4. Hydrogen-bond Quenching of Photodecarbonylation in the Solid State and Recovery of Reactivity by Crystal Engineering, Jing Zhang, Milan Gembicky, Mark Messerschmidt, and Philip Coppens, Chem. Commun. (2007), in press.
5. Response to Spackman’s “Comment on the paper ‘On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model’, by Volkov, King, Coppens & Farrugia (2006)”, Anatoliy Volkov and Philip Coppens, Acta Crystallogr. A 63, 201-203 (2007).
6. Improving the Scattering Factor Formalism in Protein Refinement. Application of the University at Buffalo Aspherical-Atom Databank to Polypeptide Structures, Anatoliy Volkov, Marc Messerschmidt, and Philip Coppens, Acta Crystallogr. D 63,160-170 (2007).
7. A Theoretical Databank of Transferable Aspherical Atoms and its Application to Electrostatic Interaction Energy Calculations of Macromolecules, Paulina M. Dominiak, Anatoliy Volkov, Xue Li, Marc Messerschmidt, and Philip Coppens, J. Chem. Theory Comput. 3, 232-247 (2007).
8. On the Design of Ultrafast Shutters For Time-Resolved Synchrotron Experiments, Milan Gembicky, and Philip Coppens, J. Synchrotron Rad. 14, 133-137 (2006).
9. The Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of  Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nano-Clusters in Eight Different Supramolecular Frameworks, Shao-Liang Zheng, Milan Gembicky, Marc Messerschmidt, Paulina M. Dominiak, and Philip Coppens, Inorg. Chem. 45, 9281-9289 (2006).
10. Supramolecular Solids and Time-Resolved Diffraction, Philip Coppens, Shao-Liang Zheng, Milan Gembicky, Marc Messerschmidt, and Paulina M. Dominiak, CrystEngComm 8, 735-741 (2006).
11. On the Calculation of the Electrostatic Potential, Electric  Field and Electric Field Gradient from the Aspherical Pseudoatom Model, Anatoliy Volkov, Harry F. King, Philip Coppens, and Louis J. Farrugia, Acta Crystallogr. A 62, 400-408 (2006).
12. Trinuclear Gold(I) Triazolates: A New Class of Wide-Band Phosphors and Sensors, Chi Yang, Marc Messerschmidt, Philip Coppens, and Mohammad A. Omary, Inorg. Chem. 45, 6592-6594 (2006).
13. Ligand-Unsupported Au(I) Chains with Short Au(I)...Au(I) Contacts, Shao-Liang Zheng, Cara L. Nygren, Marc Messerschmidt, and Philip Coppens, Chem. Commun. 3711 -3713 (2006).
14. Interaction Energies Between Glycopeptide Antibiotics and Substrates in Complexes Determined by X-ray Crystallography: Application of a Theoretical Databank of Aspherical Atoms and a Symmetry-Adapted Perturbation Theory Based Set of Interatomic Potentials, Xue Li, Anatoliy V. Volkov, Krzysztof Szalewicz, and Philip Coppens, Acta Crystallogr. D 62, 639-647 (2006).
15. Finding Optimal Radial-Function Parameters for Sulfur Atoms in the Hansen-Coppens Multipole Model Through Refinement of Theoretical Densities, Paulina M. Dominiak, and Philip Coppens, Acta Crystallogr. A 62, 224-227 (2006).
16. Experimental and Density Functional Theoretical Investigations of Linkage Isomerism in Six-Coordinate {FeNO} 6 Iron Porphyrins with Axial Nitrosyl and Nitro Ligands, Irina V. Novozhilova, Philip Coppens, Jonghyuk Lee, George B. Richter-Addo, and Kimberly A. Bagley, J. Am. Chem. Soc. 128, 2093-2104 (2006).
17. Dependence of the Intermolecular Electrostatic Interaction Energy on the Level of Theory and the Basis Set, Anatoliy V. Volkov, Harry F. King, and Philip Coppens, J. Chem. Theory Comput. 2, 81-89 (2006).
18. [60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties, Aleksey L. Litvinov, Dmitri V. Konarev, Andrey Yu. Kovalevsky, Ivan S. Neretin, Philip Coppens, and Rimma N. Lyubovskaya, Crystal Growth & Design 5, 1807-1819 (2005).
19. A Fast Mechanical Shutter for Submicrosecond Time-resolved Synchrotron Experiments, Milan Gembicky, Dan Oss, Ryan Fuchs, and Philip Coppens, J. Synchrotron Rad. 12, 665-669 (2005).
20. Luminescence Quenching and Energy Transfer in Supramolecular Solids, Shao-Liang Zheng and Philip Coppens, Crystal Growth & Design 5(6), 2050-2059 (2005).
21. An Unstable Ligand-Unsupported Cui Dimer Stabilized in a Supramolecular Framework, Shao- Liang Zheng, Marc Messerschmidt, and Philip Coppens, Angew. Chem. 117, 4690-4693 (2005).