Recent Publications

Papatya Sevinc, Bharat Dhital,Vishal G. Rao,Yuanmin Wang, H. Peter Lu, "Probing Electric Field Effect on Covalent Interactions at a Molecule-Semiconductor Interface" J. Am. Chem. Soc., 138, 1536–1542 (2016). http://pubs.acs.org/doi/abs/10.1021/jacs.5b10253

Vishal G. Rao, Bharat Dhital, H. Peter Lu, "Probing Driving Force and Electron Accepting State Density Dependent Interfacial Electron Transfer Dynamics: Suppressed Fluorescence Blinking of Single-Molecules on Indium Tin Oxide Semiconductors," J. Phys. Chem. B., 120, 1685–1697 (2016). http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.5b08807

Suneth P. Rajapaksha, Nibedita Pal, Desheng Zheng, H. Peter Lu, "Protein-fluctuation-induced water-pore formation in ion channel voltage-sensor translocation across a lipid bilayer membrane," Phys. Rev. E,  92, 052719 (2015). http://journals.aps.org/pre/abstract/10.1103/PhysRevE.92.052719

Qing Guo, Yufan He, H. Peter Lu, "Interrogating the Activities of Conformational Deformed Enzyme by Single Molecule Fluorescence-Magnetic Tweezers Microscopy," Proc. Natl. Acad. Sci., 112,13904-13909 (2015).  http://www.ncbi.nlm.nih.gov/pubmed/26512103

Vishal G. Rao, Bharat Dhital, H. Peter Lu, "Single-Molecule Interfacial Electron Transfer Dynamics of Porphyrin on TiO2 Nanoparticles: Dissecting Interfacial Electric Field and Electron Accepting State Density Dependent Dynamics ," Chem. Commun.,  51,16821-16824 (2015). http://pubs.rsc.org/en/Content/ArticleLanding/2015/CC/c5cc06451a#!divAbstract

Zhoufeng Jiang, Ghadendra B. Bhandari,Shashini Premathilake, Simeen Khanh, Douglas M. Dimick, Cody Stombaugh, Angelic Mandell, Yufan He, H. Peter Lu and Liangfeng Sun, "Growth of colloidal PbS nanosheets and the enhancement of their photoluminescence," Phys. Chem. Chem. Phys.,  17, 23303 (2015).  http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/c5cp03140k#!divAbstract

Yufan He, Mohammad Mahfuzul Haque, Dennis J. Stuehr, H. Peter Lu, "Single-molecule spectroscopy reveals how calmodulin activates NO synthase by controlling its conformational fluctuation dynamics," Proc. Natl. Acad. Sci.,  112, 11835-11840 (2015).  http://www.pnas.org/content/112/38/11835.abstract

Zijinag Wang, H. Peter Lu, "Probing Single-Molecule Protein Spontaneous Folding-Unfolding Conformational Fluctuation Dynamics: The Multiple-State and Multiple-Pathway Energy Landscape," J. Phys. Chem. B.,  119, 6366-6378 (2015).  http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.5b00735

Valentina Brega, Matthias Zeller, Yufan He, H. Peter Lu and Jeremy K. Klosterman, "Multi-Responsive Metal-Organic Lantern Cages in Solution," Chem. Commun.,  51,5077-5080 (2015).  http://pubs.rsc.org/en/Content/ArticleLanding/2015/CC/c5cc00698h#!divAbstract

Giammanco, G.E.; Ostrowski, A.D.  Photo-Patterning the mechanical properties of Polysaccharide-containing gels using Fe3+ coordination, Chemistry of Materials, 2015, 27, 4922-4925, DOI: 10.1021/acs.chemmater.5b01727

N. Razgoniaeva; S. Lambright; N. Sharma; A. Acharya; E. Khon; P. Moroz; A.O. Razgoniaev; A.D. Ostrowski; M. Zamkov; Exciton Generation in Semiconductor Nanocrystals via the Near-Field Plasmon Energy Transfer J. Phys. Chem. C., 2015, 19, 15562–15571 DOI: 10.1021/acs.jpcc.5b04608

Lifshits, L. M.; Noll, B. C.; Klosterman, J. K. A Supramolecular Approach for Designing Emissive Solid-State Carbazole Arrays. Chem. Comm., 2015, DOI: 10.1039/C5CC03515E.

J.D. Mase; A.O. Razgoniaev; M.K. Tschirhart; A.D. Ostrowski “Light- controlled release of nitric oxide from solid polymer composite materials using visible and near infra-red light,” Photochem. Photobio. Sci. 2015, DOI: 10.1039/C4PP00441H

Zen, A.; Coccia, E.; Gozem, S.; Olivucci, M.; Guidoni, L. Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model. J. Chem. Theory Comput. 2015, 11, 992–1005. DOI:10.1021/ct501122z.

G.E. Giammanco; C.T. Sosnofsky; A.D. Ostrowski “Light-responsive Iron(III)-Polysaccharide Coordination hydrogels for controlled delivery” ACS Appl. Mater. Interfaces, 2015, DOI: 10.1021/am506772x

Xu, K.; Xie, Y.; Cui, X.; Zhao, J.; Glusac, K. D. DiiodoBodipy-Rhodamine Dyads: Preparation and Study of the Acid-Activatable Competing Intersystem Crossing and Energy Transfer Processes. J. Phys. Chem. B 2015, 119, 4175–4187. DOI:10.1021/jp509858t.

Xie, Y.; Luk, H. L.; Yang, X.; Glusac, K. D. Excited-State Hydroxide Ion Transfer from a Model Xanthenol Photobase.  J. Phys. Chem. B 2015, 119, 2498–2506. DOI:10.1021/jp5080169.

Schapiro, I.; Roca-Sanjuán, D.; Lindh, R.; Olivucci, M. A Surface Hopping Algorithm for Nonadiabatic Minimum Energy Path Calculations. J. Comput. Chem. 2015, 36, 312–320. DOI:10.1002/jcc.23805.

Marchand, G.; Eng, J.; Schapiro, I.; Valentini, A.; Frutos, L. M.; Pieri, E.; Olivucci, M.; Léonard, J.; Gindensperger, E. Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center. J. Phys. Chem. Lett. 2015, 6, 599-604. DOI:10.1021/jz502644h

Brega, V.; Zeller, M.; He, Y.; Lu, H. P.; Klosterman, J. K. Multi-responsive metal–organic lantern cages in solution. Chem. Comm., 2015, 51, 5077 - 5080. DOI: 10.1039/c5cc00698h

Maolin Lu, H. Peter Lu, "Probing Protein Multi-Dimensional Conformational Fluctuations by Single-Molecule Multi-Parameter Photon Stamping Spectroscopy," J. Phys. Chem. B.,  118,11943-11955 (2014). http://pubs.acs.org/doi/10.1021/jp5081498

Dibyendu Kumar Sasmal, H. Peter Lu, " Single-Molecule Patch-Clamp FRET Microscopy Studies of NMDA Receptor Ion Channel Dynamics in Living Cells: Revealing the Multiple Conformational States Associated with a Channel at Its Electrical Off State," J. Am. Chem. Soc.,  136, 12998-13005 (2014). http://pubs.acs.org/doi/abs/10.1021/ja506231j

Ghadendra B. Bhandari, Kamal Subedi, Yufan He, Zhoufeng Jiang, Matthew Leopold, Nick Reilly, H. Peter Lu, Alexey T. Zayak and Liangfeng Sun, "Thickness-Controlled Synthesis of Colloidal PbS Nanosheets and Their Thickness-Dependent Energy Gaps",  Chemistry of Materials , 26, 5433-5436 (2014).  http://pubs.acs.org/doi/abs/10.1021/cm502524z

Vishal Govind Rao, Bharat Dhital, Yufan He, H. Peter Lu, " Single-Molecule Interfacial Electron Transfer Dynamics of Porphyrin on TiO2 Nanoparticles: Dissecting the Complex Electronic Coupling Dependent Dynamics," J. Phys. Chem. C., 118, 20209-20221 (2014).  http://pubs.acs.org/doi/abs/10.1021/jp506199w

Desheng Zheng, H. Peter Lu, " Single-Molecule Enzymatic Conformational Dynamics: Spilling Out the Product Molecules,"J. Phys. Chem. B.,  118, 9128-9140 (2014).  http://pubs.acs.org/doi/abs/10.1021/jp5014434

N.N. Kholmicheva; P. Moroz; U. Rijal; E. Bastola; P. Uprety; G. Liyanage; A.O. Razgoniaev; A.D. Ostrowski; M. Zamkov; “Plasmonic nanocrystal solar cells utilizing strongly confined radiation” ACS Nano 2014, 8, 12549-12559,  DOI: 10.1021/nn505375n

Zheng, D.; Lu, H. P. Single-Molecule Enzymatic Conformational Dynamics: Spilling Out the Product Molecules. The Journal of Physical Chemistry B 2014, 118, 9128–9140. DOI:10.1021/jp5014434.

Yoshizawa, M.; Klosterman, J. K. Molecular Architectures of Multi-Anthracene Assemblies. Chemical Society Reviews 2014, 43, 1885–1898. DOI:10.1039/c3cs60315f.

 A.E. Pierri; D.A. Muizzi; A.D. Ostrowski; P.C. Ford; “Photo-Controlled Release of NO and CO with Inorganic and Organometallic Complexes” Structure and Bonding, 2014   DOI: 10.1007/430_2014_164

Yang, X.; Walpita, J.; Mirzakulova, E.; Oottikkal, S.; Hadad, C. M.; Glusac, K. D. Mechanistic Studies of Electrode-Assisted Catalytic Oxidation by Flavinium and Acridinium Cations. ACS Catalysis 2014, 4, 2635–2644. DOI:10.1021/cs5005135.

Schapiro, I.; Fusi, S.; Olivucci, M.; Andruniów, T.; Sasidharanpillai, S.; Loppnow, G. R. Initial Excited-State Dynamics of an N-Alkylated Indanylidene–Pyrroline (NAIP) Rhodopsin Analog. The Journal of Physical Chemistry B 2014, 118, 12243–12250. DOI:10.1021/jp508060z.

Sasmal, D. K.; Lu, H. P. Single-Molecule Patch-Clamp FRET Microscopy Studies of NMDA Receptor Ion Channel Dynamics in Living Cells: Revealing the Multiple Conformational States Associated with a Channel at Its Electrical Off State. Journal of the American Chemical Society 2014, 136, 12998–13005. DOI:10.1021/ja506231j.

Rinaldi, S.; Melaccio, F.; Gozem, S.; Fanelli, F.; Olivucci, M. Comparison of the Isomerization Mechanisms of Human Melanopsin and Invertebrate and Vertebrate Rhodopsins. Proceedings of the National Academy of Sciences 2014, 111, 1714–1719. DOI:10.1073/pnas.1309508111.

Reilly, N.; Wehrung, M.; O’Dell, R. A.; Sun, L. Ultrasmall Colloidal PbS Quantum Dots. Materials Chemistry and Physics 2014, 147, 1–4. DOI:10.1016/j.matchemphys.2014.04.026.

Rao, V. G.; Dhital, B.; He, Y.; Lu, H. P. Single-Molecule Interfacial Electron Transfer Dynamics of Porphyrin on TiO 2 Nanoparticles: Dissecting the Complex Electronic Coupling Dependent Dynamics. The Journal of Physical Chemistry C 2014, 118, 20209–20221. DOI:10.1021/jp506199w.

Moroz, P.; Liyanage, G.; Kholmicheva, N. N.; Yakunin, S.; Rijal, U.; Uprety, P.; Bastola, E.; Mellott, B.; Subedi, K.; Sun, L.; Kovalenko, M. V.; Zamkov, M. Infrared Emitting PbS Nanocrystal Solids through Matrix Encapsulation. Chemistry of Materials 2014, 26, 4256–4264. DOI:10.1021/cm501739h.

Lu, M.; Lu, H. P. Probing Protein Multidimensional Conformational Fluctuations by Single-Molecule Multiparameter Photon Stamping Spectroscopy. The Journal of Physical Chemistry B 2014, 118, 11943–11955. DOI:10.1021/jp5081498.

Lu, H. P. Sizing up Single-Molecule Enzymatic Conformational Dynamics. Chem. Soc. Rev. 2014, 43, 1118–1143. DOI:10.1039/C3CS60191A.

Lu, H. P. Single-Molecule Interfacial Electron-Transfer Dynamics. In Handbook of Spectroscopy; Gauglitz, G.; Moore, D. S., Eds.; Wiley-VCH Verlag GmbH & Co. KGaA: Weinheim, Germany, 2014; pp. 877–910.

Guo, Q.; He, Y.; Lu, H. P. Manipulating and Probing Enzymatic Conformational Fluctuations and Enzyme–substrate Interactions by Single-Molecule FRET-Magnetic Tweezers Microscopy. Physical Chemistry Chemical Physics 2014, 16, 13052. DOI:10.1039/c4cp01454e.

Gozem, S.; Mirzakulova, E.; Schapiro, I.; Melaccio, F.; Glusac, K. D.; Olivucci, M. A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore. Angewandte Chemie International Edition 2014, 53, 9870–9875. DOI:10.1002/anie.201404011.

Gozem, S.; Melaccio, F.; Valentini, A.; Filatov, M.; Huix-Rotllant, M.; Ferré, N.; Frutos, L. M.; Angeli, C.; Krylov, A. I.; Granovsky, A. A.; Lindh, R.; Olivucci, M. Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection. Journal of Chemical Theory and Computation 2014, 10, 3074–3084. DOI:10.1021/ct500154k.

Gozem, S.; Melaccio, F.; Luk, H. L.; Rinaldi, S.; Olivucci, M. Learning from Photobiology How to Design Molecular Devices Using a Computer. Chemical Society Reviews 2014, 43, 4019. DOI:10.1039/c4cs00037d.

Filatov, M.; Olivucci, M. Designing Conical Intersections for Light-Driven Single Molecule Rotary Motors: From Precessional to Axial Motion. The Journal of Organic Chemistry 2014, 79, 3587–3600. DOI:10.1021/jo5004289.

Bhandari, G. B.; Subedi, K.; He, Y.; Jiang, Z.; Leopold, M.; Reilly, N.; Lu, H. P.; Zayak, A. T.; Sun, L. Thickness-Controlled Synthesis of Colloidal PbS Nanosheets and Their Thickness-Dependent Energy Gaps. Chemistry of Materials 2014, 26, 5433–5436. DOI:10.1021/cm502524z.

Gozem, S.; Krylov, A. I.; Olivucci, M. Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods. J. Chem. Theory Comput. 2013, 9, 284-292.

Wang, Y.; Sevinc, P. C.; Belchik, S. M.; Fredrickson, J.; Shi, L.; Lu, H. Peter. Single-Cell Imaging and Spectroscopic Analyses of Cr(VI) Reduction on the Surface of Bacterial Cells. Langmuir 2013, 29, 950-956.

Xu, X.; Gozem, S.; Olivucci, M.; Truhlar, D. G. Combined Self-Consistent-Field and Spin-Flip Tamm-Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry.
J. Phys. Chem. Lett. 2013, 4, 253-258.

Nilov, D. I.; Komarov, D.; Panov, M. S.; Karabaeva, K. E.; Mereshchenko, A.; Tarnovsky, A. N.; Wilson, R. M. Oxidation of Adenosine and Inosine: The Chemistry of 8-Oxo-7,8-dihydropurines, Purine Iminoquinones and Purine Quinones as Observed by Ultrafast Spectroscopy. J. Am. Chem. Soc.  2013, 135, 3423-3438.

Liu, Y.; Minami, T.; Nishiyabu, R.; Wang, Z.; Anzenbacher, P., Jr. Sensing of Carboxylate Drugs in Urine by a Supramolecular Sensor Array. J. Am. Chem. Soc. 2013, 135, 7705-7712.

Khon, E.; Lambright, K.; Khnayzer, R. S.; Moroz, P.; Perera, D.; Butaeva, E.; Lambright, S.; Castellano, F. N.; Zamkov, M. Improving the Catalytic Activity of Semiconductor Nanocrystals through Selective Domain Etching. Nano Lett. 2013, 13, 2016-2023.

Deng, F.; Blumhoff, J.; Castellano, F. N. Annihilation Limit of a Visible-to-UV Photon Upconversion Composition Ascertained from Transient Absorption Kinetics. J. Phys. Chem. A 2013, 117, 4412-4419.

Wilke, B. M.; Castellano, F. N. Photochemical Upconversion: A Physical or Inorganic Chemistry Experiment for Undergraduates Using a Conventional Fluorimeter. J. Chem. Educ.  2013, 90, 786-789.

Yang, X.; Walpita, J.; Zhou, D.; Luk, H. L.; Vyas, S.; Khnayzer, R. S.; Tiwari, S. C.; Diri, K.; Hadad, C. M.; Castellano, F. N.; Krylov, A. I.; Glusac, K. D. Toward Organic Photohydrides: Excited-State Behavior of 10-Methyl-9-phenyl-9,10-dihydroacridine. J. Phys. Chem. B 2013.

Liu, R.; Azenkeng, A.; Zhou, D.; Li, Y.; Glusac, K. D.; Sun, W. Tuning Photophysical Properties and Improving Nonlinear Absorption of Pt(II) Diimine Complexes with Extended -Conjugation in the Acetylide Ligands. J. Phys. Chem. A 2013, 117, 1907-1917.

Bernini, C.; Andruniow, T.; Olivucci, M.; Pogni, R.; Basosi, R.; Sinicropi, A. Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin. J. Am. Chem. Soc. 2013, 135, 4822-4833.

Khatmullin, R.; Zhou, D.; Corrigan, T.; Mirzakulova, E.; Glusac, K. D. Thermolysis and Photolysis of 2-ethyl-4-nitro-1(2H)-isoquinolinium hydroperoxide. J. Phys. Org. Chem.  2013, 26, 440-450.

He, Y.; Lu, M.; Lu, H. P. Single-Molecule Photon Stamping FRET Spectroscopy Study of Enzymatic Conformational Dynamics. Phys. Chem. Chem. Phys. 2013, 15, 770-775.

Wang, Q.; Wang, Y.; Lu, H. P. Revealing the Secondary Structural Changes of Amyloid Peptide by Probing the Spectral Fingerprint Characters. J. Raman Spectroscopy 2013, 44, 670-674.

Rajapaksha, S. P.; He, Y.; Lu, H. P. Combined Topographic, Spectroscopic, and Model Analyses of Inhomogeneous Energetic Coupling of Linear Light Harvesting Complex II Aggregates in Native Photoynthetic Membrane. Phys. Chem. Chem. Phys. 2013, 15, 5636-5647.

Chakraborty, A.; Deaton, J. C.; Haefele, A.; Castellano, F. N. Charge-Transfer and Ligand-Localized Photophysics in Luminescent Cyclometalated Pyrazolate-Bridged Dinuclear Platinum(II) Complexes. Organometallics 2013, 32, 3819-3829.

El-Ballouli, A. O.; Khnayzer, R. S.; Khalife, J. C.; Fonari, A.; Hallal, K. M.; Timofeeva, T. V.; Patra, D.; Castellano, F. N. Wex, B.; Kaafarani, B. R. J. Photochem. Photobiol. A: Chem. 2013, in press.

McCusker, C. E.; Castellano, F. N. Orange-to-Blue and Red-to-Green Photon Upconversion with a Broadband Absorbing Copper(I) MLCT Sensitizer. Chem. Commun. 2013, 49, 3537-3539.

Donato, L.; McCusker, C. E.; Castellano, F. N. Zysman-Colman, E. Mono- and Dinuclear Cationic Iridium(III) Complexes Bearing a 2,5-Dipyridylpyrazine (2,5-dpp) Bridging Ligand. Inorg. Chem. 2013, 52, 8495-8504.

Chirdon, D. N.; McCusker, C. E.; Castellano, F. N.; Bernhard, S. Tracking of Tuning Effects in Bis-Cyclometallated Iridium Complexes: A Combined TRIR, Electrochemical, and Computational Study. Inorg. Chem. 2013, 52, 8795-8804.

Nippe, M.; Khnayzer, R. S.; Panetier, J. A.; Zee, D. Z.; Olaiya, B. S.; Head-Gordon, M.; Chang, C. J.; Castellano, F. N.; Long, J. R. Transition Metal Complexes of the Redox-Active Ligand bpy2py and their Evaluation for Catalytic Proton Reduction. Chem. Sci. 2013, 4, 3934-3945.

McCusker, C. E.; Castellano, F. N. Design of a Long-Lifetime, Earth-Abundant, Aqueous Compatible Cu(I) Photosensitizer Using Cooperative Steric Effects. Inorg. Chem. 2013, 52, 8114-8120.

Deng, F.; Sommer, J. R.; Myahkostupov, M.; Schanze, K. S.; Castellano, F. N. Near-IR Phosphorescent Metalloporphyrin as a Photochemical Upconversion Sensitizer. Chem. Commun. 2013, 49, 7406-7408.

Frath, D.; Yarnell, J. E.; Ulrich, G.; Castellano, F. N.; Ziessel, R. Ultrafast Photoinduced Electron Transfer in Viologen-linked BODIPY Dyes. ChemPhysChem 2013, 14, 3348-3354.

Myahkostupov, M.; Prusakova, V.; Oblinsky, D. G.; Scholes, G. D.; Castellano, F. N. Structural Refinement of Ladder-Type Perylenediimide Dimers: A Classical Tale of Conformational Dynamics. J. Org. Chem. 2013, 78, 8634-8644.

Khnayzer, R. S.; McCusker, C. E.; Olaiya, B. S.; Castellano, F. N. Robust Cuprous Phenanthroline Sensitizer for Solar Hydrogen Photocatalysis. J. Am. Chem. Soc. 2013, 135, 14068-14070.

Minami, T.; Esipenko, N. A.; Akdeniz, A.; Zhang, B.; Isaacs, L.; Anzenbacher, P., Jr. Multianalyte Sensing of Addictive Over-the-Counter (OTC) Drugs. J. Am. Chem. Soc. 2013, 135, 15238-15243.

Berka, K.; Paloncyová, M.; Anzenbacher, P., Jr.; Otyepka, M. Behavior of Human Cytochromes P450 on Lipid Membranes. J. Phys. Chem. B 2013, 117, 11556-11564.

Rajapaksha, S. P.; Wang, X.; Lu, H. P. Suspended Lipid Bilayer for Optical and Electrical Measurements of Single Ion Channel Proteins. Anal. Chem. 2013, 85, 8951-8955.

Huix-Rotllant, M.; Filatov, M.; Gozem, S.; Schapiro, I.; Olivucci, M.; Ferré, N. Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model. J. Chem. Theory Comput. 2013, 9, 3917-3932.

Gozem, S.; Melaccio, F.; Lindh, R.; Krylov, A. I.; Granovsky, A. A.; Angeli, C.; Olivucci, M. Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods. J. Chem. Theory Comput. 2013, 9, 4495-4506.

Huntress, M. M.; Gozem, S.; Malley, K. R.; Jailaubekov, A. E.; Vasileiou, C.; Vengris, M.; Geiger, J. H.; Borhan, B.; Schapiro, I.; Larsen, D. S.; Olivucci, M. Toward an Understanding of the Retinal Chromophore in Rhodopsin Mimics. J. Phys. Chem. B 2013, 117, 10053-10070.

Perrier, A.; Aloise, S.; Olivucci, M.; Jacquemin, D. Inverse versus Normal Dithienylethenes: Computational Investigation of the Photocyclization Reaction. J. Phys. Chem. Lett. 2013, 4, 2190-2196.

El-Khoury, P. Z.; Joseph, S.; Schapiro, I.; Gozem, S.; Olivucci, M.; Tarnovsky, A. N. Probing Vibrationally Mediated Ultrafast Excited State Reaction Dynamics with Multireference (CASPT2) Trajectories. J. Phys. Chem. A 2013.

Moroz, P.; Kholmicheva, N.; Mellott, B.; Liyanage, G.; Rijal, U.; Bastola, E.; Huband, K.; Khon, E.; McBride, K.; Zamkov, M. Suppressed Carrier Scattering in CdS-Encapsulated PbS Nanocrystal Film. ACS Nano 2013, 7, 6964-6977.