Philip Coppens - Publications

Affiliations: 
State University of New York, Buffalo, Buffalo, NY, United States 
Area:
crystallography
Website:
http://chemistry.buffalo.edu/people/coppens/

155 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Basuroy K, Chen Y, Sarkar S, Benedict J, Coppens P. Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction. Structural Dynamics (Melville, N.Y.). 4: 024501. PMID 28382318 DOI: 10.1063/1.4978240  0.36
2016 Chen Y, Jarzembska KN, Trzop E, Coppens P. Corrigendum: Reply To: How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles-A Comment on the Band Gap Determination of the Fe(II) Cages. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 6712. PMID 27137878 DOI: 10.1002/chem.201601650  0.36
2016 Chen Y, Jarzembska KN, Trzop E, Coppens P. Reply To: How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles-A Comment on the Band Gap Determination of the Fe(II) Cages. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26928979 DOI: 10.1002/chem.201600041  0.36
2015 Coppens P, Fournier B. On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources. Structural Dynamics (Melville, N.Y.). 2: 064101. PMID 26798829 DOI: 10.1063/1.4935526  1
2015 Coppens P. Perspective: On the relevance of slower-than-femtosecond time scales in chemical structural-dynamics studies. Structural Dynamics (Melville, N.Y.). 2: 020901. PMID 26798788 DOI: 10.1063/1.4913362  1
2015 Chen Y, Jarzembska KN, Trzop E, Zhang L, Coppens P. How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles? Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 11538-44. PMID 26147327 DOI: 10.1002/chem.201500961  0.36
2015 Coppens P, Fournier B. New methods in time-resolved Laue pump-probe crystallography at synchrotron sources. Journal of Synchrotron Radiation. 22: 280-7. PMID 25723930 DOI: 10.1107/S1600577514026538  1
2015 Coppens P. The old and the new: My participation in the development of chemical crystallography during 50+ years Physica Scripta. 90. DOI: 10.1088/0031-8949/90/5/058001  1
2015 Yi J, Coppens P, Powell DR, Richter-Addo GB. Linkage Isomerization in Nitrosothiols (RSNOs): The X-ray Crystal Structure of an S-nitrosocysteine and DFT Analysis of Its Metastable MS1 and MS2 Isomers Comments On Inorganic Chemistry. 1-11. DOI: 10.1080/02603594.2015.1095185  1
2015 Ayers PL, Boyd RJ, Bultinck P, Caffarel M, Carbó-Dorca R, Causá M, Cioslowski J, Contreras-Garcia J, Cooper DL, Coppens P, Gatti C, Grabowsky S, Lazzeretti P, Macchi P, Martín Pendás Á, et al. Six questions on topology in theoretical chemistry Computational and Theoretical Chemistry. 1053: 2-16. DOI: 10.1016/j.comptc.2014.09.028  1
2015 Chen Y, Jarzembska KN, Trzop E, Zhang L, Coppens P. How Does Substitutional Doping Affect Visible Light-Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles? Chemistry - a European Journal. DOI: 10.1002/chem.201500961  1
2014 Negre CF, Young KJ, Oviedo MB, Allen LJ, Sánchez CG, Jarzembska KN, Benedict JB, Crabtree RH, Coppens P, Brudvig GW, Batista VS. Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates. Journal of the American Chemical Society. 136: 16420-9. PMID 25337894 DOI: 10.1021/ja509270f  1
2014 Jarzembska KN, Kami?ski R, Fournier B, Trzop E, Sokolow JD, Henning R, Chen Y, Coppens P. Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved Laue diffraction study of an Ag(I)-Cu(I) tetranuclear complex. Inorganic Chemistry. 53: 10594-601. PMID 25238405 DOI: 10.1021/ic501696y  1
2014 Fournier B, Coppens P. Analysis of multicrystal pump-probe data sets. I. Expressions for the RATIO model. Acta Crystallographica. Section a, Foundations and Advances. 70: 514-7. PMID 25176998 DOI: 10.1107/S2053273314013229  1
2014 Jarzembska KN, Chen Y, Nasca JN, Trzop E, Watson DF, Coppens P. Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles. Physical Chemistry Chemical Physics : Pccp. 16: 15792-5. PMID 24964263 DOI: 10.1039/c4cp02509a  1
2014 Coppens P, Chen Y, Trzop E. Crystallography and properties of polyoxotitanate nanoclusters. Chemical Reviews. 114: 9645-61. PMID 24820889 DOI: 10.1021/cr400724e  1
2014 Fournier B, Coppens P. On the assessment of time-resolved diffraction results. Acta Crystallographica. Section a, Foundations and Advances. 70: 291-9. PMID 24815977 DOI: 10.1107/S2053273314006305  1
2014 Chen Y, Trzop E, Makal A, Chen YS, Coppens P. A novel manganese-doped large polyoxotitanate nanocluster. Dalton Transactions (Cambridge, England : 2003). 43: 3839-41. PMID 24457976 DOI: 10.1039/c3dt53416b  1
2014 Kami?ski R, Nottingham G, Coppens P. An optical chopper for generation of short X-ray pulses to allow in-house time-resolved photocrystallography Journal of Applied Crystallography. 47: 1765-1768. DOI: 10.1107/S160057671401961X  1
2013 Coppens P, Sokolow J, Trzop E, Makal A, Chen Y. On the Biexponential Decay of the Photoluminescence of the Two Crystallographically-Independent Molecules in Crystals of [Cu(I)(phen)(PPh3)2][BF4]. The Journal of Physical Chemistry Letters. 4: 579-82. PMID 26281869 DOI: 10.1021/jz400013b  0.36
2013 Chen Y, Trzop E, Sokolow JD, Coppens P. Direct observation of the binding mode of the phosphonate anchor to nanosized polyoxotitanate clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 16651-5. PMID 24166801 DOI: 10.1002/chem.201302012  1
2013 Chen Y, Sokolow JD, Trzop E, Coppens P. A manganese-doped polymeric framework of polyoxotitanate nanoclusters with a narrow band gap. Dalton Transactions (Cambridge, England : 2003). 42: 15285-7. PMID 24042234 DOI: 10.1039/c3dt52218k  1
2013 Chen Y, Trzop E, Makal A, Sokolow JD, Coppens P. Nanosized alkali-metal-doped ethoxotitanate clusters. Inorganic Chemistry. 52: 4750-2. PMID 23587091 DOI: 10.1021/ic302692d  1
2013 Bao J, Yu Z, Gundlach L, Benedict JB, Coppens P, Chen HC, Miller JR, Piotrowiak P. Excitons and excess electrons in nanometer size molecular polyoxotitanate clusters: electronic spectra, exciton dynamics, and surface states. The Journal of Physical Chemistry. B. 117: 4422-30. PMID 23113586 DOI: 10.1021/jp307724v  1
2013 Coppens P. The interaction between theory and experiment in charge density analysis Physica Scripta. 87. DOI: 10.1088/0031-8949/87/04/048104  1
2013 Coppens P, Sokolow J, Trzop E, Makal A, Chen Y. On the biexponential decay of the photoluminescence of the two crystallographically-independent molecules in crystals of [Cu(I)(phen)(PPh 3)2][BF4] Journal of Physical Chemistry Letters. 4: 579-582. DOI: 10.1021/jz400013b  1
2013 Chen Y, Sokolow J, Trzop E, Chen YS, Coppens P. A large manganese-doped polyoxotitanate nanocluster: Ti 14MnO14(OH)2(OEt)28 Journal of the Chinese Chemical Society. 60: 887-890. DOI: 10.1002/jccs.201300163  1
2012 Kalinowski JA, Fournier B, Makal A, Coppens P. The LaueUtil toolkit for Laue photocrystallography. II. Spot finding and integration. Journal of Synchrotron Radiation. 19: 637-46. PMID 22713901 DOI: 10.1107/S0909049512022637  1
2012 Fournier B, Coppens P. Measuring picosecond excited-state lifetimes at synchrotron sources. Journal of Synchrotron Radiation. 19: 497-502. PMID 22713880 DOI: 10.1107/S0909049512010710  1
2012 Sokolow JD, Trzop E, Chen Y, Tang J, Allen LJ, Crabtree RH, Benedict JB, Coppens P. Binding modes of carboxylate- and acetylacetonate-linked chromophores to homodisperse polyoxotitanate nanoclusters. Journal of the American Chemical Society. 134: 11695-700. PMID 22709348 DOI: 10.1021/ja303692r  1
2012 Snoeberger RC, Young KJ, Tang J, Allen LJ, Crabtree RH, Brudvig GW, Coppens P, Batista VS, Benedict JB. Interfacial electron transfer into functionalized crystalline polyoxotitanate nanoclusters. Journal of the American Chemical Society. 134: 8911-7. PMID 22548416 DOI: 10.1021/ja301238t  1
2012 Makal A, Benedict J, Trzop E, Sokolow J, Fournier B, Chen Y, Kalinowski JA, Graber T, Henning R, Coppens P. Restricted photochemistry in the molecular solid state: structural changes on photoexcitation of Cu(I) phenanthroline metal-to-ligand charge transfer (MLCT) complexes by time-resolved diffraction. The Journal of Physical Chemistry. A. 116: 3359-65. PMID 22385365 DOI: 10.1021/jp300313s  1
2012 Collet E, Moisan N, Baldé C, Bertoni R, Trzop E, Laulhé C, Lorenc M, Servol M, Cailleau H, Tissot A, Boillot ML, Graber T, Henning R, Coppens P, Buron-Le Cointe M. Ultrafast spin-state photoswitching in a crystal and slower consecutive processes investigated by femtosecond optical spectroscopy and picosecond X-ray diffraction. Physical Chemistry Chemical Physics : Pccp. 14: 6192-9. PMID 22294040 DOI: 10.1039/c2cp23587k  1
2011 Kalinowski JA, Makal A, Coppens P. The LaueUtil toolkit for Laue photocrystallography. I. Rapid orientation matrix determination for intermediate-size-unit-cell Laue data. Journal of Applied Crystallography. 44: 1182-1189. PMID 22199400 DOI: 10.1107/S0021889811038143  1
2011 Makal A, Trzop E, Sokolow J, Kalinowski J, Benedict J, Coppens P. The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex. Acta Crystallographica. Section a, Foundations of Crystallography. 67: 319-26. PMID 21694470 DOI: 10.1107/S0108767311011883  1
2011 Friembichler S, Coppens P, Säre H, Moens Y. A scavenging double mask to reduce workplace contamination during mask induction of inhalation anesthesia in dogs. Acta Veterinaria Scandinavica. 53: 1. PMID 21232109 DOI: 10.1186/1751-0147-53-1  0.01
2011 Benedict JB, Makal A, Sokolow JD, Trzop E, Scheins S, Henning R, Graber T, Coppens P. Time-resolved Laue diffraction of excited species at atomic resolution: 100 ps single-pulse diffraction of the excited state of the organometallic complex Rh2(μ-PNP)2(PNP)2·BPh4. Chemical Communications (Cambridge, England). 47: 1704-6. PMID 21210070 DOI: 10.1039/c0cc04997b  1
2011 Coppens P. Molecular excited-state structure by time-resolved pump-probe X-ray diffraction. What is new and what are the prospects for further progress? Journal of Physical Chemistry Letters. 2: 616-621. DOI: 10.1021/jz200050x  1
2011 Coppens P, Zheng SL. Real-Time Crystallography of Photoinduced Processes in Supramolecular Framework Solids Supramolecular Photochemistry: Controlling Photochemical Processes. 155-174. DOI: 10.1002/9781118095300.ch5  1
2010 Schmøkel MS, Kami?ski R, Benedict JB, Coppens P. Data scaling and temperature calibration in time-resolved photocrystallographic experiments. Acta Crystallographica. Section a, Foundations of Crystallography. 66: 632-6. PMID 20962370 DOI: 10.1107/S0108767310029429  1
2010 Benedict JB, Freindorf R, Trzop E, Cogswell J, Coppens P. Large polyoxotitanate clusters: well-defined models for pure-phase TiO2 structures and surfaces. Journal of the American Chemical Society. 132: 13669-71. PMID 20836494 DOI: 10.1021/ja106436y  1
2010 Coppens P, Kami?ski R, Schmøkel MS. On R factors for dynamic structure crystallography. Acta Crystallographica. Section a, Foundations of Crystallography. 66: 626-8. PMID 20720326 DOI: 10.1107/S0108767310021227  1
2010 Kami?ski R, Graber T, Benedict JB, Henning R, Chen YS, Scheins S, Messerschmidt M, Coppens P. Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography. Journal of Synchrotron Radiation. 17: 479-85. PMID 20567080 DOI: 10.1107/S0909049510019710  1
2010 Scheins S, Zheng SL, Benedict JB, Coppens P. Charge-density analysis of the ground state of a photochromic 1,10-phenanthroline zinc(II) bis(thiolate) complex. Acta Crystallographica. Section B, Structural Science. 66: 366-72. PMID 20484807 DOI: 10.1107/S0108768110009687  1
2010 Coppens P, Benedict J, Messerschmidt M, Novozhilova I, Graber T, Chen YS, Vorontsov I, Scheins S, Zheng SL. Time-resolved synchrotron diffraction and theoretical studies of very short-lived photo-induced molecular species. Acta Crystallographica. Section a, Foundations of Crystallography. 66: 179-88. PMID 20164641 DOI: 10.1107/S0108767309055342  1
2010 Benedict JB, Coppens P. The crystalline nanocluster phase as a medium for structural and spectroscopic studies of light absorption of photosensitizer dyes on semiconductor surfaces. Journal of the American Chemical Society. 132: 2938-44. PMID 20146516 DOI: 10.1021/ja909600w  1
2010 Vorontsov I, Pillet S, Kami?ski R, Schmøkel MS, Coppens P. LASER-a program for response-ratio refinement of time-resolved diffraction data Journal of Applied Crystallography. 43: 1129-1130. DOI: 10.1107/S0021889810029900  1
2010 Kaminíski R, Schmøkel MS, Coppens P. Constrained excited-state structure in molecular crystals by means of the QM/MM approach: Toward the prediction of photocrystallographic results Journal of Physical Chemistry Letters. 1: 2349-2353. DOI: 10.1021/jz100809q  1
2010 Benedict JB, Coppens P. Single crystals of functionalized nanoparticles as a medium for structural and spectroscopic studies of photosensitizer dyes on semiconductor surfaces Acs National Meeting Book of Abstracts 1
2010 Knapp B, Oss D, Sheridan T, Gembicky M, Coppens P. Vacuum compatible, high speed air bearing chopper Proceedings of the 10th International Conference of the European Society For Precision Engineering and Nanotechnology, Euspen 2010. 1: 271-274.  1
2009 Zheng SL, Wang Y, Yu Z, Lin Q, Coppens P. Direct observation of a photoinduced nonstabilized nitrile imine structure in the solid state. Journal of the American Chemical Society. 131: 18036-7. PMID 19928921 DOI: 10.1021/ja9094523  1
2009 Dominiak PM, Volkov A, Dominiak AP, Jarzembska KN, Coppens P. Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition. Acta Crystallographica. Section D, Biological Crystallography. 65: 485-99. PMID 19390154 DOI: 10.1107/S0907444909009433  1
2009 Vorontsov II, Graber T, Kovalevsky AY, Novozhilova IV, Gembicky M, Chen YS, Coppens P. Capturing and analyzing the excited-state structure of a Cu(I) phenanthroline complex by time-resolved diffraction and theoretical calculations. Journal of the American Chemical Society. 131: 6566-73. PMID 19378949 DOI: 10.1021/ja900921p  1
2009 Coppens P. The new photocrystallography. Angewandte Chemie (International Ed. in English). 48: 4280-1. PMID 19378302 DOI: 10.1002/anie.200900910  1
2009 Scheins S, Messerschmidt M, Gembicky M, Pitak M, Volkov A, Coppens P, Harvey BG, Turpin GC, Arif AM, Ernst RD. Charge density analysis of the (C-C)-->Ti agostic interactions in a titanacyclobutane complex. Journal of the American Chemical Society. 131: 6154-60. PMID 19366267 DOI: 10.1021/ja807649k  1
2009 Benedict JB, Coppens P. Kinetics of the single-crystal to single-crystal two-photon photodimerization of alpha-trans-cinnamic acid to alpha-truxillic acid. The Journal of Physical Chemistry. A. 113: 3116-20. PMID 19256472 DOI: 10.1021/jp809170t  1
2009 Coppens P, Pitak M, Gembicky M, Messerschmidt M, Scheins S, Benedict J, Adachi SI, Sato T, Nozawa S, Ichiyanagi K, Chollet M, Koshihara SY. The RATIO method for time-resolved Laue crystallography. Journal of Synchrotron Radiation. 16: 226-30. PMID 19240334 DOI: 10.1107/S0909049508040892  1
2009 Zheng SL, Gembicky M, Messerschmidt M, Coppens P. Ligand-tuning of the Excitation Wavelength of a Solid State E/Z Isomerization: [Zn(TA)2(2,2́-bipyridyl)] in a Supramolecular Framework Journal of the Chinese Chemical Society. 56: 16-21.  1
2008 Zheng SL, Pham O, Vande Velde CM, Gembicky M, Coppens P. Competitive isomerization and dimerization in co-crystals of 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol and sorbic acid: a new look at stereochemical requirements for [2+2] dimerization. Chemical Communications (Cambridge, England). 2538-40. PMID 18506236 DOI: 10.1039/b802103a  1
2008 Coppens P. Chemistry. A phase transition hidden in higher dimensions. Science (New York, N.Y.). 319: 41-2. PMID 18174424 DOI: 10.1126/science.1153272  1
2008 Zheng SL, Vande Velde CM, Messerschmidt M, Volkov A, Gembicky M, Coppens P. Supramolecular solids as a medium for single-crystal-to-single-crystal E/Z photoisomerization: kinetic study of the photoreactions of two Zn-coordinated tiglic acid molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 706-13. PMID 17955556 DOI: 10.1002/chem.200701037  1
2008 Coppens P, Zheng SL, Gembicky M. Static and time-resolved photocrystallographic studies in supramolecular solids Zeitschrift Fur Kristallographie. 223: 265-271. DOI: 10.1524/zkri.2008.0026  1
2007 Dominiak PM, Volkov A, Li X, Messerschmidt M, Coppens P. A Theoretical Databank of Transferable Aspherical Atoms and Its Application to Electrostatic Interaction Energy Calculations of Macromolecules. Journal of Chemical Theory and Computation. 3: 232-47. PMID 26627168 DOI: 10.1021/ct6001994  1
2007 Zhang J, Gembicky M, Messerschmidt M, Coppens P. Hydrogen-bond quenching of photodecarbonylation in the solid state and recovery of reactivity by co-crystallization. Chemical Communications (Cambridge, England). 2399-401. PMID 17844759 DOI: 10.1039/b700073a  1
2007 Zheng SL, Volkov A, Nygren CL, Coppens P. The nature of the AgI...AgI interaction in different Ag(NH3)2 dimers embedded in supramolecular solids. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 8583-90. PMID 17659514 DOI: 10.1002/chem.200700577  1
2007 Zheng SL, Messerschmidt M, Coppens P. Single-crystal-to-single-crystal E --> Z isomerization of tiglic acid in a supramolecular framework. Acta Crystallographica. Section B, Structural Science. 63: 644-9. PMID 17641435 DOI: 10.1107/S0108768107018538  1
2007 Zheng SL, Messerschmidt M, Coppens P. Single-crystal-to-single-crystal E-->Z and Z-->E isomerizations of 3-chloroacrylic acid within the nanocavities of a supramolecular framework. Chemical Communications (Cambridge, England). 2735-7. PMID 17594037 DOI: 10.1039/b703378h  1
2007 Gembicky M, Adachi SI, Coppens P. A kHz heat-load shutter for white-beam experiments at synchrotron sources. Journal of Synchrotron Radiation. 14: 295-6. PMID 17435306 DOI: 10.1107/S090904950701117X  1
2007 Volkov A, Messerschmidt M, Coppens P. Improving the scattering-factor formalism in protein refinement: application of the University at Buffalo Aspherical-Atom Databank to polypeptide structures. Acta Crystallographica. Section D, Biological Crystallography. 63: 160-70. PMID 17242509 DOI: 10.1107/S0907444906044453  1
2007 Gembicky M, Coppens P. On the design of ultrafast shutters for time-resolved synchrotron experiments. Journal of Synchrotron Radiation. 14: 133-7. PMID 17211080 DOI: 10.1107/S0909049506041835  1
2007 Pearsal M, Gembicky M, Dominiak P, Larsen A, Coppens P. Di μ- Nitrosyl-bis-[(ν5-pentamethyl-cyclopentadienyl) ruthenium(0)](Ru - Ru) Acta Crystallographica Section E: Structure Reports Online. 63: m2596. DOI: 10.1107/S1600536807045321  1
2007 Volkov A, Coppens P. Response to Spackman's comment on On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model [2] Acta Crystallographica Section a: Foundations of Crystallography. 63: 201-203. DOI: 10.1107/S0108767307002620  1
2006 Volkov A, King HF, Coppens P. Dependence of the Intermolecular Electrostatic Interaction Energy on the Level of Theory and the Basis Set. Journal of Chemical Theory and Computation. 2: 81-9. PMID 26626382 DOI: 10.1021/ct050216x  1
2006 Zheng SL, Gembicky M, Messerschmidt M, Dominiak PM, Coppens P. Effect of the environment on molecular properties: synthesis, structure, and photoluminescence of Cu(I) bis(2,9-dimethyl-1,10-phenanthroline) nanoclusters in eight different supramolecular frameworks. Inorganic Chemistry. 45: 9281-9. PMID 17083227 DOI: 10.1021/ic0609709  1
2006 Zheng SL, Nygren CL, Messerschmidt M, Coppens P. Ligand-unsupported Au(I) chains with short Au(I)...Au(I) contacts. Chemical Communications (Cambridge, England). 3711-3. PMID 17047820 DOI: 10.1039/b606999a  1
2006 Volkov A, King HF, Coppens P, Farrugia LJ. On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. Acta Crystallographica. Section a, Foundations of Crystallography. 62: 400-8. PMID 16926487 DOI: 10.1107/S0108767306026298  1
2006 Yang C, Messerschmidt M, Coppens P, Omary MA. Trinuclear gold(I) triazolates: a new class of wide-band phosphors and sensors. Inorganic Chemistry. 45: 6592-4. PMID 16903710 DOI: 10.1021/ic060943i  1
2006 Li X, Volkov AV, Szalewicz K, Coppens P. 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. Acta Crystallographica. Section D, Biological Crystallography. 62: 639-47. PMID 16699191 DOI: 10.1107/S0907444906013072  1
2006 Dominiak PM, Coppens P. Finding optimal radial-function parameters for S atoms in the Hansen-Coppens multipole model through refinement of theoretical densities. Acta Crystallographica. Section a, Foundations of Crystallography. 62: 224-7. PMID 16614495 DOI: 10.1107/S0108767306003266  1
2006 Novozhilova IV, Coppens P, Lee J, Richter-Addo GB, Bagley KA. Experimental and density functional theoretical investigations of linkage isomerism in six-coordinate FeNO(6) iron porphyrins with axial nitrosyl and nitro ligands. Journal of the American Chemical Society. 128: 2093-104. PMID 16464112 DOI: 10.1021/ja0567891  1
2006 Moncol J, Gembicky M, Coppens P. (2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline)-(tetrahydroborato)copper(I) : A redetermination at 90 K Acta Crystallographica Section E: Structure Reports Online. 62: m2177-m2179. DOI: 10.1107/S1600536806031308  1
2006 Coppens P, Zheng SL, Gembicky M, Messerschmidt M, Dominiak PM. Supramolecular solids and time-resolved diffraction Crystengcomm. 8: 735-741. DOI: 10.1039/b610286g  1
2005 Coppens P. Charge densities come of age. Angewandte Chemie (International Ed. in English). 44: 6810-1. PMID 16187393 DOI: 10.1002/anie.200501734  1
2005 Kovalevsky AY, King G, Bagley KA, Coppens P. Photoinduced oxygen transfer and double-linkage isomerism in a cis-(NO)(NO2) transition-metal complex by photocrystallography, FT-IR spectroscopy and DFT calculations. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 7254-64. PMID 16187381 DOI: 10.1002/chem.200500653  1
2005 Gembicky M, Oss D, Fuchs R, Coppens P. A fast mechanical shutter for submicrosecond time-resolved synchrotron experiments. Journal of Synchrotron Radiation. 12: 665-9. PMID 16120992 DOI: 10.1107/S090904950501770X  1
2005 Vorontsov II, Kovalevsky AY, Chen YS, Graber T, Gembicky M, Novozhilova IV, Omary MA, Coppens P. Shedding light on the structure of a photoinduced transient excimer by time-resolved diffraction. Physical Review Letters. 94: 193003. PMID 16090170 DOI: 10.1103/PhysRevLett.94.193003  1
2005 Zheng SL, Messerschmidt M, Coppens P. An unstable ligand-unsupported Cu(I) dimer stabilized in a supramolecular framework. Angewandte Chemie (International Ed. in English). 44: 4614-7. PMID 16003800 DOI: 10.1002/anie.200501154  1
2005 King G, Gembicky M, Coppens P. Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)2]2(PF6)2.0.5(bpmh).CH3CN and [Cu(dmp)2][N(CN)2]. Acta Crystallographica. Section C, Crystal Structure Communications. 61: m329-32. PMID 15997055 DOI: 10.1107/S0108270105010760  1
2005 Vorontsov II, Coppens P. On the refinement of time-resolved diffraction data: comparison of the random-distribution and cluster-formation models and analysis of the light-induced increase in the atomic displacement parameters. Journal of Synchrotron Radiation. 12: 488-93. PMID 15968127 DOI: 10.1107/S0909049505014561  1
2005 Konarev DV, Kovalevsky AY, Lopatin DV, Umrikhin AV, Yudanova EI, Coppens P, Lyubovskaya RN, Saito G. Synthesis, crystal structure and photoconductivity of the first [60]fullerene complex with metal diethyldithiocarbamate: {CuII(dedtc)2}2.C60. Dalton Transactions (Cambridge, England : 2003). 1821-5. PMID 15877153 DOI: 10.1039/b500314h  1
2005 Zheng SL, Coppens P. Syntheses, structures, photoluminescence and theoretical studies of xanthone in crystalline resorcinarene-based inclusion complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 3583-90. PMID 15815995 DOI: 10.1002/chem.200500033  1
2005 Coppens P. Ewald Prize awarded to Professor Philip Coppens. Acta Crystallographica. Section a, Foundations of Crystallography. 61: 300. PMID 15724078 DOI: 10.1107/S0108767305005131  1
2005 Coppens P, Vorontsov II, Graber T, Gembicky M, Kovalevsky AY. The structure of short-lived excited states of molecular complexes by time-resolved X-ray diffraction. Acta Crystallographica. Section a, Foundations of Crystallography. 61: 162-72. PMID 15724066 DOI: 10.1107/S0108767304029551  1
2005 Moncol J, Gembicky M, Coppens P. (Tetrahydroborato)bis(triphenylphosphine)copper(I): A redetermination at 90 K Acta Crystallographica Section E: Structure Reports Online. 61: m242-m243. DOI: 10.1107/S1600536804030314  1
2005 Zheng SL, Coppens P. Emission quenching of photoactive molecules embedded in supramolecular solids: Synthesis, structure and photoluminescence studies of benzil in a CMCR-based inclusion complex with a saturated linker molecule Crystengcomm. 7: 289-293. DOI: 10.1039/b502562a  1
2005 Zheng SL, Coppens P. Luminescence quenching and energy transfer in supramolecular solids Crystal Growth and Design. 5: 2050-2059. DOI: 10.1021/cg050247d  1
2005 Litvinov AL, Konarev DV, Kovalevsky AY, Neretin IS, Coppens P, Lyubovskaya RN. [60]Fullerene complexes with supramolecular zinc tetraphenylporphyrin assemblies: Synthesis, crystal structures, and optical properties Crystal Growth and Design. 5: 1807-1819. DOI: 10.1021/cg050095m  1
2005 Zhilyaeva EI, Kovalevskyi AY, Torunova SA, Mousdis GA, Lyubovskii RB, Papavassiliou GC, Coppens P, Lyubovskaya RN. Structure and conductivity of unsymmetrical π-donor ethylenedithiodithiadiselenafulvalene iodomercurate (EDT-DTDSF) 4Hg3I8 Synthetic Metals. 150: 245-250. DOI: 10.1016/j.synthmet.2005.02.014  1
2005 Coppens P, Iversen B, Larsen FK. The use of synchrotron radiation in X-ray charge density analysis of coordination complexes Coordination Chemistry Reviews. 249: 179-195. DOI: 10.1016/j.ccr.2004.02.019  1
2005 Coppens P, Novozhilova IV. DFT calculations of light-induced excited states and comparison with time-resolved crystallographic results International Journal of Quantum Chemistry. 101: 611-623. DOI: 10.1002/qua.20316  1
2004 Kovalevsky AY, Gembicky M, Coppens P. Cu(I)(2,9-bis(trifluoromethyl)-1,10-phenanthroline)2+ complexes: correlation between solid-state structure and photoluminescent properties. Inorganic Chemistry. 43: 8282-9. PMID 15606174 DOI: 10.1021/ic049638s  1
2004 Gerlits O, Kovalevsky AY, Coppens P. Solid-state spectroscopic properties and the geometry of binuclear rhodium(I) diisocyanoalkane complexes. Dalton Transactions (Cambridge, England : 2003). 3955-62. PMID 15558120 DOI: 10.1039/b412942c  1
2004 Volkov A, Koritsanszky T, Li X, Coppens P. Response to the paper A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004). Acta Crystallographica. Section a, Foundations of Crystallography. 60: 638-9. PMID 15507748 DOI: 10.1107/S0108767304016496  1
2004 Coppens P, Volkov A. The interplay between experiment and theory in charge-density analysis. Acta Crystallographica. Section a, Foundations of Crystallography. 60: 357-64. PMID 15477672 DOI: 10.1107/S0108767304014953  1
2004 Coppens P, Gerlits O, Vorontsov II, Kovalevsky AY, Chen YS, Graber T, Gembicky M, Novozhilova IV. A very large Rh-Rh bond shortening on excitation of the [Rh2(1,8-diisocyano-p-menthane)4]2+ ion by time-resolved synchrotron X-ray diffraction. Chemical Communications (Cambridge, England). 2144-5. PMID 15467843 DOI: 10.1039/b409463h  1
2004 Lee J, Kovalevsky AY, Novozhilova IV, Bagley KA, Coppens P, Richter-Addo GB. Single- and double-linkage isomerism in a six-coordinate iron porphyrin containing nitrosyl and nitro ligands. Journal of the American Chemical Society. 126: 7180-1. PMID 15186147 DOI: 10.1021/ja0488986  1
2004 Coppens P, Vorontsov II, Graber T, Kovalevsky AY, Chen YS, Wu G, Gembicky M, Novozhilova IV. Geometry changes of a Cu(I) phenanthroline complex on photoexcitation in a confining medium by time-resolved X-ray diffraction. Journal of the American Chemical Society. 126: 5980-1. PMID 15137759 DOI: 10.1021/ja049781k  1
2004 Ma BQ, Coppens P. Symmetry induced supramolecular assembly of a resorcinarene trimeric molecular box. Chemical Communications (Cambridge, England). 932-3. PMID 15069481 DOI: 10.1039/b315091g  1
2004 Novozhilova IV, Volkov AV, Coppens P. On the nature of the lowest triplet excited state of the [Rh 2(1,3-diisocyanopropane)(4)]2+ ion. Inorganic Chemistry. 43: 2299-307. PMID 15046505 DOI: 10.1021/ic035243h  1
2004 Ma BQ, Vieira Ferreira LF, Coppens P. Structure and photoluminescence of a benzil nanocolumn in a C-methylcalix[4]resorcinarene-based framework. Organic Letters. 6: 1087-90. PMID 15040729 DOI: 10.1021/ol036249d  1
2004 Volkov A, Coppens P. Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioning. Journal of Computational Chemistry. 25: 921-34. PMID 15027105 DOI: 10.1002/jcc.20023  1
2004 Moncol J, Gembicky M, Coppens P. Dicarbonylbis(triphenylphosphine)nickel(0): A redetermination at 90 K Acta Crystallographica Section E: Structure Reports Online. 60: m1582-m1583. DOI: 10.1107/S1600536804024377  1
2004 Volkov A, Li X, Koritsanszky T, Coppens P. Ab initio quality electrostatic atomic and molecular properties including intermolecular energies from a transferable theoretical pseudoatom databank Journal of Physical Chemistry A. 108: 4283-4300. DOI: 10.1021/jp0379796  1
2004 Ma BQ, Coppens P. Variable conformation of benzophenone in a series of resorcinarene-based supramolecular frameworks Crystal Growth and Design. 4: 1377-1385. DOI: 10.1021/cg0499562  1
2004 Ma BQ, Coppens P. Symmetry mismatching as a tool in the synthesis of complex supramolecular solids with multiple cavities Crystal Growth and Design. 4: 211-213. DOI: 10.1021/cg0341914  1
2004 Volkov A, Koritsanszky T, Coppens P. Combination of the exact potential and multipole methods (EP/MM) for evaluation of intermolecular electrostatic interaction energies with pseudoatom representation of molecular electron densities Chemical Physics Letters. 391: 170-175. DOI: 10.1016/j.cplett.2004.04.097  1
2003 Kovalevsky AY, Gembicky M, Novozhilova IV, Coppens P. Solid-state structure dependence of the molecular distortion and spectroscopic properties of the Cu(I) bis(2,9-dimethyl-1,10-phenanthroline) ion. Inorganic Chemistry. 42: 8794-802. PMID 14686859 DOI: 10.1021/ic0348805  1
2003 Ma BQ, Zhang Y, Coppens P. Multiple conformations of benzil in resorcinarene-based supramolecular host matrixes. The Journal of Organic Chemistry. 68: 9467-72. PMID 14629173 DOI: 10.1021/jo035169k  1
2003 Ma BQ, Coppens P. Formation of pyrene nano-rods within a supramolecular framework. Chemical Communications (Cambridge, England). 2290-1. PMID 14518879  1
2003 Coppens P. What can time-resolved diffraction tell us about transient species?: excited-state structure determination at atomic resolution. Chemical Communications (Cambridge, England). 1317-20. PMID 12841224  1
2003 Chen LX, Shaw GB, Novozhilova I, Liu T, Jennings G, Attenkofer K, Meyer GJ, Coppens P. MLCT state structure and dynamics of a copper(I) diimine complex characterized by pump-probe X-ray and laser spectroscopies and DFT calculations. Journal of the American Chemical Society. 125: 7022-34. PMID 12783557 DOI: 10.1021/ja0294663  1
2003 Ma BQ, Coppens P. Transformation of a C-methylcalix[4]resorcinarene-based host-guest complex from a wave-like to a novel triangular brick-wall architecture. Chemical Communications (Cambridge, England). 504-5. PMID 12638971  1
2003 Ma BQ, Coppens P. Three-fold interpenetrating three-dimensional networks based on C-methylcalix[4]resorcinarene incorporating benzophenone guest molecules. Chemical Communications (Cambridge, England). 412-3. PMID 12613638  1
2003 Sabino JR, Coppens P. On the choice of d-orbital coordinate system in charge-density studies of low-symmetry transition-metal complexes. Acta Crystallographica. Section a, Foundations of Crystallography. 59: 127-31. PMID 12604850 DOI: 10.1107/S0108767302023127  1
2003 Pillet S, Wu G, Kulsomphob V, Harvey BG, Ernst RD, Coppens P. Investigation of Zr-C, Zr-N, and potential agostic interactions in an organozirconium complex by experimental electron density analysis. Journal of the American Chemical Society. 125: 1937-49. PMID 12580621 DOI: 10.1021/ja021133i  1
2003 Coppens P, Novozhilova IV. Introductory lecture: Time-resolved chemistry at atomic resolution. Faraday Discussions. 122: 1-11; discussion 79-. PMID 12555846 DOI: 10.1039/b207128m  1
2003 Novozhilova IV, Volkov AV, Coppens P. Theoretical analysis of the triplet excited state of the [Pt2(H2P2O5)4]4- ion and comparison with time-resolved X-ray and spectroscopic results. Journal of the American Chemical Society. 125: 1079-87. PMID 12537508 DOI: 10.1021/ja027857b  1
2003 Kovalevsky AY, Bagley KA, Cole JM, Coppens P. Light-induced metastable linkage isomers of ruthenium sulfur dioxide complexes. Inorganic Chemistry. 42: 140-7. PMID 12513088 DOI: 10.1021/ic025997g  1
2003 Litvinov AL, Konarev DV, Kovalevsky AY, Coppens P, Lyubovskaya RN. Synthesis and crystal structure of a new supramolecular complex: [(ZnTPP)2Prz]·C60·5.34C7H 8·0.66C6H5CN Crystengcomm. 5: 137-139. DOI: 10.1039/b303415a  1
2003 Konarev DV, Litvinov AL, Kovalevsky AY, Drichko NV, Coppens P, Lyubovskaya RN. Molecular complexes of fullerene C60 with aromatic hydrocarbons: Crystal structures of (TPE)2C60 and DPA·C60 Synthetic Metals. 133: 675-677. DOI: 10.1016/S0379-6779(02)00363-6  1
2003 Litvinov AL, Konarev DV, Kovalevsky AY, Lapshin AN, Yudanova EI, Drichko NV, Coppens P, Lyubovskaya RN. Synthesis, Crystal Structure, and Optical Properties of a New Molecular Complex of C60 with a Covalently Linked (FeIIITPP) 2O Dimer European Journal of Inorganic Chemistry. 3914-3917.  1
2002 Li X, Wu G, Abramov YA, Volkov AV, Coppens P. Application of charge density methods to a protein model compound: calculation of Coulombic intermolecular interaction energies from the experimental charge density. Proceedings of the National Academy of Sciences of the United States of America. 99: 12132-7. PMID 12221293 DOI: 10.1073/pnas.192438999  1
2002 Koritsanszky T, Volkov A, Coppens P. Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalism. Acta Crystallographica. Section a, Foundations of Crystallography. 58: 464-72. PMID 12192120 DOI: 10.1107/S0108767302010991  1
2002 Kovalevsky AY, Bagley KA, Coppens P. The first photocrystallographic evidence for light-induced metastable linkage isomers of ruthenium sulfur dioxide complexes. Journal of the American Chemical Society. 124: 9241-8. PMID 12149030 DOI: 10.1021/ja026045c  1
2002 Ma BQ, Coppens P. A novel scoop-shaped conformation of C-methylcalix[4]resorcinarene in a bilayer structure. Chemical Communications (Cambridge, England). 424-5. PMID 12120523  1
2002 Konarev DV, Kovalevsky AY, Li X, Neretin IS, Litvinov AL, Drichko NV, Slovokhotov YL, Coppens P, Lyubovskaya RN. Synthesis and structure of multicomponent crystals of fullerenes and metal tetraarylporphyrins. Inorganic Chemistry. 41: 3638-46. PMID 12099866 DOI: 10.1021/ic011312l  1
2002 Coppens P, Novozhilova I, Kovalevsky A. Photoinduced linkage isomers of transition-metal nitrosyl compounds and related complexes. Chemical Reviews. 102: 861-84. PMID 11942781 DOI: 10.1021/cr000031c  1
2002 Kim CD, Pillet S, Wu G, Fullagar WK, Coppens P. Excited-state structure by time-resolved X-ray diffraction. Acta Crystallographica. Section a, Foundations of Crystallography. 58: 133-7. PMID 11832582 DOI: 10.1107/S0108767301017986  1
2002 Wu G, Rodrigues BL, Coppens P. The correction of reflection intensities for incomplete absorption of high-energy x-rays in the CCD phosphor Journal of Applied Crystallography. 35: 356-359. DOI: 10.1107/S0021889802005770  1
2002 Litvinov AL, Konarev DV, Kovalevsky AY, Neretin IS, Slovokhotov YL, Coppens P, Lyubovskaya RN. Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents Crystengcomm. 4: 618-622. DOI: 10.1039/b209875j  1
2002 Coppens P, Ma B, Gerlits O, Zhang Y, Kulshrestha P. Crystal engineering, solid state spectroscopy and time-resolved diffraction Crystengcomm. 4: 302-309. DOI: 10.1039/b203602a  1
2002 Ma BQ, Zhang Y, Coppens P. Structural Variation and Supramolecular Isomerism in the C-Methylcalix[4]resorcinarene/Bipyridine System Crystal Growth and Design. 2: 7-13. DOI: 10.1021/cg0155595  1
2002 Konarev DV, Kovalevsky AY, Litvinov AL, Drichko NV, Tarasov BP, Coppens P, Lyubovskaya RN. Molecular complexes of fullerenes C60 and C70 with saturated amines Journal of Solid State Chemistry. 168: 474-485. DOI: 10.1006/jssc.2002.9732  1
2001 Koritsanszky TS, Coppens P. Chemical applications of X-ray charge-density analysis. Chemical Reviews. 101: 1583-627. PMID 11709993 DOI: 10.1021/cr990112c  1
2001 Macchi P, Coppens P. Relativistic analytical wave functions and scattering factors for neutral atoms beyond Kr and for all chemically important ions up to I-. Acta Crystallographica. Section a, Foundations of Crystallography. 57: 656-62. PMID 11679695 DOI: 10.1107/S0108767301010182  1
2001 Volkov A, Coppens P. Critical examination of the radial functions in the Hansen-Coppens multipole model through topological analysis of primary and refined theoretical densities. Acta Crystallographica. Section a, Foundations of Crystallography. 57: 395-405. PMID 11418749  0.48
2001 Volkov A, Abramov YA, Coppens P. Density-optimized radial exponents for X-ray charge-density refinement from ab initio crystal calculations. Acta Crystallographica. Section a, Foundations of Crystallography. 57: 272-82. PMID 11326112  0.52
2000 Fullagar WK, Wu G, Kim C, Ribaud L, Sagerman G, Coppens P. Instrumentation for photocrystallographic experiments of transient species. Journal of Synchrotron Radiation. 7: 229-35. PMID 16609200 DOI: 10.1107/S0909049500005422  0.52
2000 Kim C, Novozhilova I, Goodman MS, Bagley KA, Coppens P. On the photochemical behavior of the [Ru(NH3)4(NO)nicotinamide]3+ cation and the relative stability of light-induced metastable isonitrosyl isomers of Ru complexes. Inorganic Chemistry. 39: 5791-5. PMID 11151381 DOI: 10.1021/ic000583d  1
2000 Abramov YA, Volkov A, Wu G, Coppens P. The experimental charge-density approach in the evaluation of intermolecular interactions. Application of a new module of the XD programming package to several solids including a pentapeptide. Acta Crystallographica. Section a, Foundations of Crystallography. 56: 585-91. PMID 11058845  0.52
2000 Volkov A, Abramov Y, Coppens P, Gatti C. On the origin of topological differences between experimental and theoretical crystal charge densities Acta Crystallographica. Section a, Foundations of Crystallography. 56: 332-9. PMID 10916642  0.48
2000 Volkov A, Gatti C, Abramov Y, Coppens P. Evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of the experimental charge density Acta Crystallographica. Section a, Foundations of Crystallography. 56: 252-8. PMID 10851587  0.48
1999 Coppens P, Volkov A, Abramov Y, Koritsanszky T. On the errors in molecular dipole moments derived from accurate diffraction data. Acta Crystallographica. Section a, Foundations of Crystallography. 55: 965-967. PMID 10927307  0.48
1998 Wu G, Zhang Y, Ribaud L, Coppens P, Wilson C, Iversen BB, Larsen FK. Multitemperature Resonance-Diffraction and Structural Study of the Mixed-Valence Complex [Fe(3)O(OOCC(CH(3))(3))(6)(C(5)H(5)N)(3)]. Inorganic Chemistry. 37: 6078-6083. PMID 11670746  0.56
1991 Naughton MJ, Chung OH, Chaparala M, Bu X, Coppens P. Commensurate fine structure in angular-dependent studies of (TMTSF)2ClO4. Physical Review Letters. 67: 3712-3715. PMID 10044806  0.44
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