Publications

Peer-reviewed publications of research supported in part or in whole under an EFRC are listed below. Publications are ordered first by year, then alphabetically by EFRC acronym, and finally alphabetically by first author. Links to the DOI and associated EFRC appear at the end of each citation. The publication list is updated periodically; the last such update was May 21, 2014.

101.Cerrillo, J.; and Cao, Jianshu  Non-Markovian Dynamical Maps: Numerical Processing of Open Quantum Trajectories  Phys. Rev. Lett., 112, 110401 (2014).  [DOI: 10.1103/PhysRevLett.112.110401External link] [CE]
102.Chen, C.; Chuang, Chern; Cao, Jianshu; Ball, V.; Ruch, D.; and Buehler, M. J.  Excitonic effects from geometric order and disorder explain broadband optical absorption in eumelanin  Nature Communications, accepted, NA (2014).  [DOI: NAExternal link] [CE]
103.Chesin, Jordan P.; and Gradečak, Silvija  Errata: Comparing directed efficiency of III-nitride nanowire light-emitting diodes  Journal of Nanophotonics, 8, 089998-089998 (2014).  [DOI: 10.1117/1.JNP.8.089998External link] [CE]
104.Chuang, Chern; Knoester, J.; and Cao, Jianshu  Scaling Relations and Optimization of Excitonic Energy Transfer Rates between One-Dimensional Molecular Aggregates  J. Phys. Chem. B,, accepted, Article ASAP (2014).  [DOI: 10.1021/jp4124502External link] [CE]
105.Cui, Jian; Beyler, Andrew P.; Bischof, Thomas S.; Wilson, Mark W. B.; and Bawendi, Moungi G.  Deconstructing the photon stream from single nanocrystals: from binning to correlation  Chem. Soc. Rev., 43, 1287-1310 (2014).  [DOI: 10.1039/C3CS60330JExternal link] [CE]
106.Eisele, D. M. ; Arias, Dylan H.; Fu, X.; Bloemsma, E. A.; Steiner, Colby; Jensen, Russell; Rebentrost, P.; Eisele, H.; Lloyd, S.; Tokmakoff, A.; Knoester, J.; Nicastro, D.; Nelson, Keith A; and Bawendi, Moungi G.  Robust Excitons in Soft Supramolecular Nanotubes  PNAS, accepted, NA (2014).  [DOI: NAExternal link] [CE]
107.Huh, Joonsuk; Saikin, Semion K.; Brookes, Jennifer C.; Valleau, Stephanie; Fujita, Takatoshi; and Aspuru-Guzik, Alan  Atomistic Study of Energy Funneling in the Light-Harvesting Complex of Green Sulfur Bacteria  J. Am. Chem. Soc., 136, 2048-2057 (2014).  [DOI: 10.1021/ja412035qExternal link] [CE]
108.Kim, YongJoo; Chen, Hsieh; and Alexander-Katz, Alfredo  Free energy landscape and localization of nanoparticles at block copolymer model defects  Soft Matter, 10, 3284-3291 (2014).  [DOI: 10.1039/C3SM52640BExternal link] [CE]
109.Lu, Ming-Yen; Zhou, Xiang; Chiu, Cheng-Yao; Crawford, Samuel; and Gradečak, Silvija  From GaN to ZnGa2O4 through a Low-Temperature Process: Nanotube and Heterostructure Arrays  ACS Appl. Mater. Interfaces, 6, 882-887 (2014).  [DOI: 10.1021/am404158fExternal link] [CE]
110.Mata, Maria de la; Zhou, Xiang; Furtmayr, Florian; Teubert, Jorg; Gradečak, Silvija; Eickhoff, Martin; Fontcuberta i Morral, Anna; and Arbiol, Jordi  A review of MBE grown 0D, 1D and 2D quantum structures in a nanowire  J. Mater. Chem. C, 1, 4300-4312 (2014).  [DOI: 10.1039/C3TC30556BExternal link] [CE]
111.Mu, Weihua ; Cao, Jianshu; and Ou-Yang, Zhong-can  Shape transition of unstrained flattest single-walled carbon nanotubes under pressure   J. Appl. Phys., 115, 044512 (2014).  [DOI: 10.1063/1.4863455External link] [CE]
112.Poulikakos, Lisa V.; Prins, Ferry; and Tisdale, William A.  Transition from Thermodynamic to Kinetic-Limited Excitonic Energy Migration in Colloidal Quantum Dot Solids  J. Phys. Chem. C, 118, 7894-7900 (2014).  [DOI: 10.1021/jp502961vExternal link] [CE]
113.Reineke, Sebastian; and Baldo, Marc A.  Room temperature triplet state spectroscopy of organic semiconductors  Scientific Reports, 4, (2014).  [DOI: 10.1038/srep03797External link] [CE]
114.Shustova, Natalia B.; Cozzolino, Anthony F.; Reineke, Sebastian; Baldo, Marc; and Dinca, Mircea  Selective Turn-On Ammonia Sensing Enabled by High-Temperature Fluorescence in Metal–Organic Frameworks with Open Metal Sites  J. Am. Chem. Soc., 135, 13326-13329 (2014).  [DOI: 10.1021/ja407778aExternal link] [CE]
115.Valleau, Stephanie; Saikin, Semion K.; Ansari-Oghol, Davood; Rostami, Masoud; Mosallaei , Hossein; and Aspuru-Guzik, Alan  Electromagnetic study of the chlorosome antenna complex of Chlorobium-Tepidum  ACS Nano, accepted, na (2014).  [DOI: NAExternal link] [CE]
116.Wang, C.; Ren, J.; and Cao, Jianshu  Optimal tunneling enhances the quantum photovoltaic effect in double quantum dots   New J. Phys., 16, 045019 (2014).  [DOI: 10.1088/1367-2630/16/4/045019External link] [CE]
117.Wanger, Darcy D.; Correa, Raoul E.; Dauler, Eric A.; and Bawendi, Moungi G.  The Dominant Role of Exciton Quenching in PbS Quantum-Dot-Based Photovoltaic Devices  Nano Lett., 13, 5907-5912 (2014).  [DOI: 10.1021/nl402886jExternal link] [CE]
118.Wu, Tony C.; Thompson, Nicholas J.; Congreve, Daniel N.; Hontz, Eric; Yost, Shane R.; Van Voorhis, Troy; and Baldo, Marc A.  Singlet Fission Efficiency in Tetracene-Based Organic Solar Cells  App Phys Lett., accepted, NA (2014).  [DOI: NAExternal link] [CE]
119.Yost, Shane R.; Lee, Jiye; Wilson, Mark W. B.; McMahon, David P; Parkhurst, R R; Thompson, Nicholas J.; Rao, A.; Johnson, K.; Sfeir, M. Y.; Bawendi, Moungi G.; Swager, Timothy M.; Friend, Richard H.; Baldo, Marc A.; and Van Voorhis, Troy  Universal Mechanism for Singlet Exciton Fission  Nature Chemistry, , (2014).  [DOI: 10.1038/nchem.1945External link] [CE]
120.Yost, Shane R.; Lee, Jiye; Wilson, B. G. ; McMahon, David P; Parkhurst, R R; Thompson, Nicholas J.; Rao, A.; Johnson, K.; Sfeir, M. Y.; Bawendi, Moungi G.; Swager, Timothy M.; Friend, R. H.; Baldo, Marc A.; and Van Voorhis, Troy  A Transferable Model for Singlet Fission Kinetics  Nature Chemistry, accepted, NA (2014).  [DOI: NAExternal link] [CE]
121.Yuen-Zhou, Joel; Arias, Dylan H.; Eisele, Dorthe M.; Steiner, Colby P.; Krich, Jacob J.; Bawendi, Moungi G.; Nelson, Keith A.; and Aspuru-Guzik, Alan  Coherent Exciton Dynamics in Supramolecular Light-Harvesting Nanotubes Revealed by Ultrafast Quantum Process Tomography  ACS Nano, , (2014).  [DOI: 10.1021/nn406107qExternal link] [CE]
122.Zhong , X.; Zhao, Y.; and Cao, Jianshu  Coherent quantum transport in disordered systems: II. Temperature dependence of carrier diffusion coefficients from the time-dependent wavepacket diffusion method   New J. Phys., 16 , 045009 (2014).  [DOI: 10.1088/1367-2630/16/4/045009External link] [CE]
123.Curtin, Benjamin M.; and Bowers, John E.  Thermoelectric power factor enhancement with gate-all-around silicon nanowires  Physical Review, , (2014).  [DOI:External link] [CEEM]
124.Dou, Letian; Zheng, Yonghao; Shen, Xiaoqin; Wu, Guang; Fields, Kirk; Hsu, Wan-Ching; Zhou, Huanping; Yang, Yang; and Wudl, Fred  Single-Crystal Linear Polymers Through Visible Light-Triggered Topochemical Quantitative Polymerization  Science, 343, 272-277 (2014).  [DOI: 10.1126/science.1245875External link] [CEEM]
125.Douglas, Jason E.; Birkel, Christina S.; Verma, Nisha; Miller, Victoria M.; Miao, Mao-Sheng; Stucky, Galen D.; Pollock, Tresa M.; and Seshadri, Ram  Phase stability and property evolution of biphasic Ti-Ni-Sn alloys for use in thermoelectric applications  Journal of Applied Physics, 115, 043720 (2014).  [DOI: 10.1063/1.4862955External link] [CEEM]
126.Dreyer, C. E.; Janotti, A.; and Van de Walle, C. G.  Absolute surface energies of polar and nonpolar planes of GaN  Physical Review B, 89, 081305 (2014).  [DOI: 10.1103/PhysRevB.89.081305External link] [CEEM]
127.Huang, Ye; Wen, Wen; Mukherjee, Subhrangsu; Ade, Harald; Kramer, Edward J.; and Bazan, Guillermo C.  High-Molecular-Weight Insulating Polymers Can Improve the Performance of Molecular Solar Cells  Advanced Materials, , n/a-n/a (2014).  [DOI: 10.1002/adma.201400497External link] [CEEM]
128.Huang, Ye; Liu, Xiaofeng; Wang, Cheng; Rogers, James T.; Su, Gregory M.; Chabinyc, Michael L.; Kramer, Edward J.; and Bazan, Guillermo C.  Structural Characterization of a Composition Tolerant Bulk Heterojunction Blend  Advanced Energy Materials, , (2014).  [DOI: 10.1002/aenm.201301886External link] [CEEM]
129.Kaake, Loren G.; Moses, Daniel; and Heeger, Alan J.  Reply to "Comment on 'Coherence and Uncertainty in Nanostructured Organic Photovoltaics'"  The Journal of Physical Chemistry A, 118, 1539-1539 (2014).  [DOI: 10.1021/jp412052zExternal link] [CEEM]
130.Lai, Lai Fan; Love, John A.; Sharenko, Alexander; Coughlin, Jessica E.; Gupta, Vinay K; Tretiak, Sergei; Nguyen, Thuc-Quyen; Wong, Wai-Yeung; and Bazan, Guillermo C.  Topological Considerations for the Design of Molecular Donors with Multiple Absorbing Units  Journal of the American Chemical Society, 136, 5591-5594 (2014).  [DOI: 10.1021/ja501711mExternal link] [CEEM]
131.Lin, Chieh-Ting; McMahon, William E.; Ward, James S.; Geisz, John F.; Wanlass, Mark W.; Carapella, Jeffrey J.; Olavarria, Waldo; Perl, Emmett E.; Young, Michelle; Steiner, Myles A.; France, Ryan M.; Kibbler, Alan E.; Duda, Anna; Moriarty, Tom E.; Friedman, Daniel J.; and Bowers, John E.  Two-terminal metal-inter-connected multijunction III–V solar cells  Prog. Photovolt: Res. Appl., , (2014).  [DOI: 10.1002/pip.2468External link] [CEEM]
132.Love, John A.; Nagao, Ikuhiro; Huang, Ye; Kuik, Martijn; Gupta, Vinay K; Takacs, Christopher J.; Coughlin, Jessica E.; Qi, Li; van der Poll, Thomas S.; Kramer, Edward J.; Heeger, Alan J.; Nguyen, Thuc-Quyen; and Bazan, Guillermo C.  Silaindacenodithiophene-Based Molecular Donor: Morphological Features and Use in the Fabrication of Compositionally Tolerant, High-Efficiency Bulk Heterojunction Solar Cells  Journal of the American Chemical Society, 136, 3597-3606 (2014).  [DOI: 10.1021/ja412473pExternal link] [CEEM]
133.Perl, Emmett E.; Lin, Chieh-Ting (Tony); McMahon, W. E.; Friedman, Daniel J.; and Bowers, John E.  Ultra-Broadband and Wide-Angle Hybrid Antireflection Coatings with Nanostructures  IEEE Journal of Photovoltaics, , (2014).  [DOI:External link] [CEEM]
134.Su, Gregory M.; Pho, Toan V.; Eisenmenger, Nancy D.; Wang, Cheng; Wudl, Fred; Kramer, Edward J.; and Chabinyc, Michael L.  Linking morphology and performance of organic solar cells based on decacyclene triimide acceptors  Journal of Materials Chemistry A, , (2014).  [DOI: 10.1039/C3TA14839DExternal link] [CEEM]
135.Sztein, Alexander; Bowers, John E.; DenBaars, Steven; and Nakamura, Shuji  Polarization field engineering of GaN/AlN/AlGaN superlattices for enhanced thermoelectric properties  Appl. Phys. Lett., 104, 042106 (2014).  [DOI: 10.1063/1.4863420External link] [CEEM]
136.Widjonarko, N. Edwin; Schulz, Philip; Parilla, Philip A.; Perkins, Craig L.; Ndione, Paul F.; Sigdel, Ajaya K.; Olson, Dana C.; Ginley, David S.; Kahn, Antoine; Toney, Michael F.; and Berry, Joseph J.  Impact of Hole Transport Layer Surface Properties on the Morphology of a Polymer-Fullerene Bulk Heterojunction  Advanced Energy Materials, , (2014).  [DOI: 10.1002/aenm.201301879External link] [CEEM]
137.Young, N. G.; Perl, E. E.; Farrell, R. M.; Iza, M.; Keller, S.; Bowers, J. E.; Nakamura, S.; DenBaars, S. P.; and Speck, J. S.  High-performance broadband optical coatings on InGaN/GaN solar cells for multijunction device integration  Applied Physics Letters, 104, 163902 (2014).  [DOI: 10.1063/1.4873117External link] [CEEM]
138.Young, A. J.; Schultz, B. D.; and Palmstrøm, C. J.  Lattice distortion in single crystal rare-earth arsenide/GaAs nanocomposites  Applied Physics Letters, 104, 073114 (2014).  [DOI: 10.1063/1.4865905External link] [CEEM]
139.Zhang, Yichi; Bahk, Je-Hyeong; Lee, Joun; Birkel, Christina S.; Snedaker, Matthew L.; Liu, Deyu; Zeng, Hongmei; Moskovits, Martin; Shakouri, Ali; and Stucky, Galen D.  Hot Carrier Filtering in Solution Processed Heterostructures: A Paradigm for Improving Thermoelectric Efficiency  Advanced Materials, , (2014).  [DOI: 10.1002/adma.201304419External link] [CEEM]
140.Blaiszik, B. J.; Jones, A. R.; Sottos, Nancy R.; and White, Scott R.  Microencapsulation of gallium–indium (Ga–In) liquid metal for self-healing applications  J. Microencapsulation, , (2014).  [DOI: 10.3109/02652048.2013.858790External link] [CEES]
141.Esbenshade, Jennifer; and Gewirth, Andrew A.  Effect of Mn and Cu Addition on Lithiation and SEI Formation on Model Anode Electrodes  J. Electrochem. Soc., 161(4), A513-A518 (2014).  [DOI: 10.1149/2.009404jesExternal link] [CEES]
142.Fister, T. T.; Esbenshade, Jennifer; Chen, Xiao; Long, Brandon R.; Shi, Bing; Schleputz, Christian M.; Gewirth, Andrew A.; Bedzyk, Michael J.; and Fenter, Paul  Lithium Intercalation Behavior in Multilayer Silicon Electrodes  Adv. Energy Mater., , (2014).  [DOI: 10.1002/aenm.201301494External link] [CEES]
143.Gowda, Sanketh R.; Gallagher, Kevin G.; Croy, J. R.; Bettge, Martin; Thackeray, Michael; and Balasubramanian, Mahalingam  Oxidation state of cross-over manganese species on the graphite electrode of lithium-ion cells   Phys Chem Chem Phys, , (2014).  [DOI: 10.1039/C4CP00764FExternal link] [CEES]
144.Han, Kai; Shen, Jingmei; Ye, Hongqi; Kung, Mayfair C; and Kung, Harold H  Li2S-reduced graphene oxide nanocomposites as cathode material for lithium sulfur batteries  J. Power Sources, 251, 331-337 (2014).  [DOI: 10.1016/j.jpowsour.2013.11.062External link] [CEES]
145.Jaber-Ansari, Laila; Iddir, H.; Curtiss, Larry A; and Hersam, Mark C.  Influence of Electronic Type Purity on the Lithiation of Single-Walled Carbon Nanotubes  ACS Nano, , (2014).  [DOI: 10.1021/nn405921tExternal link] [CEES]
146.Jones, E. M. C.; Silberstein, M. N. ; White, Scott R.; and Sottos, Nancy R.  In Situ Measurements of Strains in Composite Battery Electrodes during Electrochemical Cycling  Exp. Mech., , (2014).  [DOI: 10.1007/s11340-014-9873-3External link] [CEES]
147.Kang, Sen; Jones, A. R.; Moore, Jeffrey S.; White, Scott R.; and Sottos, Nancy R.  Microencapsulated Carbon Black Suspensions for Restoration of Electrical Conductivity  Adv. Func. Mater., , (2014).  [DOI: 10.1002/adfm.201303427External link] [CEES]
148.Lipson, Albert L.; Puntambekar, Kanan; Comstock, David J.; Meng, Xiangbo; Geier, Michael L.; Elam, Jeffrey W.; and Hersam, Mark C.  Nanoscale Investigation of Solid Electrolyte Interphase Inhibition on Li-ion Battery MnO Electrodes via Atomic Layer Deposition of Al2O3  Chem. Mater., , (2014).  [DOI: 10.1021/cm402451hExternal link] [CEES]
149.Meng, Xiangbo; He, K.; Su, D; Zhang, X.; Sun, C.; Ren, Y.; Wang, H.-H.; Weng, W.; Trahey, Lynn; Canlas, Christian P.; and Elam, Jeffrey W.  Gallium Sulfide-Single Walled Carbon Nanotube Composites: High-performance Anodes for Lithium-Ion Batteries  Adv. Func. Mater., , (2014).  [DOI: 10.1002/adfm.201401002External link] [CEES]
150.Meng, Xiangbo; Libera, Joseph A.; Fister, T. T.; Zhou, Hua; Hedlund, Jenny K.; Fenter, Paul; and Elam, Jeffrey W.  Atomic Layer Deposition of Gallium Sulfide Films Using Hexakis(dimethylamido)digallium and Hydrogen Sulfide  Chem. Mater., 26(2), 1029-1039 (2014).  [DOI: 10.1021/cm4031057External link] [CEES]
151.Meredig, Bryce; Agrawal, Amit K; Kirklin, Scott; Saal, James E.; Doak, J W; Thompson, Alan J; Zhang, K.; Choudhary, A.; and Wolverton, Christopher  Combinatorial screening for new materials in unconstrained composition space with machine learning   Phys. Rev. B, 89, 094104 (2014).  [DOI: 10.1103/PhysRevB.89.094104External link] [CEES]
152.Park, Joong Sun ; Meng, Xiangbo; Elam, Jeffrey W.; Hao, Shiqiang; Wolverton, Christopher; Kim, Chunjoong; and Cabana, Jordi  Ultrathin Lithium Ion Conducting Coatings for Increased Interfacial Stability in High Voltage Li-ion Batteries  Chem. Mater., , (2014).  [DOI: 10.1021/cm500512nExternal link] [CEES]
153.Bhagatwala, A.; Lu, T. F.; and Chen, J. H.  DIRECT NUMERICAL SIMULATIONS OF HCCI/SACI WITH ETHANOL  Combustion and Flame, , (2014).  [DOI: 10.1016/j.combustflame.2013.12.027External link] [CEFRC]
154.Buras, Z J; Elsamra, R; Jalan, A.; Middaugh, J; and Green, W. H.  DIRECT KINETIC MEASUREMENTS OF REACTIONS BETWEEN THE CRIEGEE INTERMEDIATE (CH2OO) AND ALKENES  Journal of Physical Chemistry A, 118, 1997–2006 (2014).  [DOI: 10.1021/jp4118985External link] [CEFRC]
155.Campbell, M. F.; Davidson, David F.; and Hanson, Ronald K.  IGNITION DELAY TIMES OF VERY-LOW-VAPOR-PRESSURE BIODIESEL SURROGATES BEHIND REFLECTED SHOCK WAVES  Fuel, 126, 271–281 (2014).  [DOI: 10.1016/j.fuel.2014.02.050External link] [CEFRC]
156.Curran, H. J.; and Sung, C. J.  USING RAPID COMPRESSION MACHINES FOR CHEMICAL KINETICS STUDIES  Progress in Energy and Combustion Science, , (2014).  [DOI: 10.1016/j.pecs.2014.04.001External link] [CEFRC]
157.Dames, Enoch; Lam, K. Y.; Davidson, David F.; and Hanson, Ronald K.  AN IMPROVED KINETIC MECHANISM FOR 3-PENTANONE PYROLYSIS AND OXIDATION DEVELOPED USING MULTISPECIES TIME HISTORIES IN SHOCK-TUBES  Combustion and Flame, 161, 1135–1145 (2014).  [DOI: 10.1016/j.combustflame.2013.11.010External link] [CEFRC]
158.Deng, Sili; Zhao, Peng; and Law, C. K.  NTC-AFFECTED IGNITION AND LOW-TEMPERATURE FLAMES IN NONPREMIXED DME/AIR COUNTERFLOW  Combustion and Flame, , (2014).  [DOI: 10.1016/j.combustflame.2014.01.020].External link] [CEFRC]
159.Dryer, F. L. ; Haas, F. M.; Santner, J.; Farouk, T.; and Chaos, M.  INTERPRETING CHEMICAL KINETICS FROM COMPLEX REACTION‐ADVECTION DIFFUSION SYSTEMS: MODELING OF FLOW REACTORS AND RELATED EXPERIMENTS  Progress in Energy and Combustion Science, , (2014).  [DOI: 10.1016/j.pecs.2014.04.002External link] [CEFRC]
160.Egolfopoulos, Fokion N.; Hansen, N.; Ju, Yiguang; Kohse-Hoinghaus, K.; Law, C. K.; and Qi, F.  ADVANCES AND CHALLENGES IN LAMINAR FLAME EXPERIMENTS AND IMPLICATIONS FOR COMBUSTION CHEMISTRY  Progress in Energy and Combustion Science, , (2014).  [DOI: 10.1016/j.pecs.2014.04.004External link] [CEFRC]
161.Espinosa-Garcia, .; Fernandez-Ramos, A.; Suleymanov, Y.; and Corchado, J.  Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction  J. Phys. Chem. A, , (2014).  [DOI: 10.1021/jp4118453External link] [CEFRC]
162.Gonzalez-Lavado, E.; Corchado, J.; Suleymanov, Y.; Green, W. H.; and Espinosa-Garcia, J.  THEORETICAL KINETICS STUDY OF THE O(3P) + CH4/CD4 HYDROGEN ABSTRACTION REACTION: THE ROLE OF ANHARMONICITY, RECROSSING EFFECTS AND QUANTUM MECHANICAL TUNNELING  Journal of Physical Chemistry A, , (2014).  [DOI: 10.1021/jp5028965External link] [CEFRC]
163.Hui, X.; Zhang, C.; Xia, M.; and Sung, C. J.  HYDROGEN ADDITION ON COMBUSTION CHARACTERISTICS OF N-DECANE/AIR MIXTURES  Combustion and Flame, , (2014).  [DOI: 10.1016/j.combustflame.2014.03.007External link] [CEFRC]
164.Krisiloff, D. B.; Oyeyemi, V. B.; Libisch, F.; and Carter, Emily A  ANALYSIS OF AND REMEDIES FOR UNPHYSICAL GROUND STATES OF THE MULTIREFERENCE AVERAGED COUPLED-PAIR FUNCTIONAL  J. Chem. Phys., 140, (2014).  [DOI: 10.1063/1.4861035External link] [CEFRC]
165.Li, Y.; Suleymanov, Y.; Green, W. H.; and Guo, H.  Quantum Rate Coefficients and Kinetic Isotope Effect for the Reaction Cl + CH4 → HCl + CH3 from Ring Polymer Molecular Dynamics  Journal of Physical Chemistry A, 118, 1989–1996 (2014).  [DOI: 10.1021/jp501043zExternal link] [CEFRC]
166.Niemeyer, K. E.; and Sung, C. J.  Accelerating Moderately Stiff Chemical Kinetics in Reactive-Flow Simulations using GPUs  Journal of Computational Physics, 256, 854-871 (2014).  [DOI: 10.1016/j.jcp.2013.09.025External link] [CEFRC]
167.Oyeyemi, V. B.; Keith, J.; and Carter, Emily A  TRENDS IN BOND DISSOCIATION ENERGIES OF ALCOHOLS AND ALDEHYDES COMPUTED WITH MULTIREFERENCE AVERAGED COUPLED-PAIR FUNCTIONAL THEORY  J. Phys. Chem. A, , (2014).  [DOI: 10.1021/jp501636rExternal link] [CEFRC]
168.Oyeyemi, V. B.; Keith, J.; and Carter, Emily A  ACCURATE BOND ENERGIES OF BIODIESEL METHYL ESTERS FROM MULTIREFERENCE AVERAGED COUPLED-PAIR FUNCTIONAL CALCULATIONS  J. Phys. Chem. A, , (2014).  [DOI: 10.1021/jp412727wExternal link] [CEFRC]
169.Oyeyemi, V. B.; Krisiloff, D. B.; Libisch, F.; Pavone, Michele; and Carter, Emily A  SIZE-EXTENSIVITY-CORRECTED MULTIREFERENCE CONFIGURATION INTERACTION SCHEMES TO ACCURATELY PREDICT BOND DISSOCIATION ENERGIES OF OXYGENATED HYDROCARBONS  J. Chem. Phys., 140, (2014).  [DOI: 10.1063/1.4862159External link] [CEFRC]
170.Ren, W.; Spearrin, R M; Davidson, David F.; and Hanson, Ronald K.  EXPERIMENTAL AND MODELING STUDY OF THE THERMAL DECOMPOSITION OF C3–C5 ETHYL ESTERS BEHIND REFLECTED SHOCK WAVES  Journal of Physical Chemistry A, 118, 1785–1798, 2014 (2014).  [DOI: 10.1021/jp411766bExternal link] [CEFRC]
171.Wang, Y. L.; Lee, D. J.; Westbrook, Charles K.; Egolfopoulos, Fokion N.; and Tsotsis, T. T.  Oxidation of Small Alkyl Esters in Flames  combustion and flame, 161, 810-817 (2014).  [DOI: 10.1016/j.combustflame.2013.09.013External link] [CEFRC]
172.Weber, B. W.; Pitz, W. J.; Mehl, M.; Silke, E. J.; Davis, A. C.; and Sung, C. J.  EXPERIMENTS AND MODELING OF THE AUTOIGNITION OF METHYLCYCLOHEXANE AT HIGH PRESSURE  Combustion and Flame, , (2014).  [DOI: 10.1016/j.combustflame.2014.01.018External link] [CEFRC]
173.Zheng, J.; Meana-Paneda, R.; and Truhlar, D. G.  PREDICTION OF EXPERIMENTALLY UNAVAILABLE PRODUCT BRANCHING RATIOS FOR BIOFUEL COMBUSTION: THE ROLE OF ANHARMONICITY  J. Am. Chem. Soc, 136, 5150-5160 (2014).  [DOI: 10.1021/ja5011288External link] [CEFRC]
174.Arab, Shermin; Anderson, P. D.; Yao, Maoqing; Zhou, Chongwu; Dapkus, P. Daniel; Povinelli, Michelle L. ; and Cronin, Stephen B.  Enhanced Fabry-Perot Resonance in GaAs Nanowires through Surface Passivation and Local Field Enhancement  Nano Research, , (2014).  [DOI: 10.1007/s12274-014-0477-0External link] [CEN]
175.Buckley, Jannise; Couderc, Elsa; Greaney, Matthew J.; Munteneau, J; Riche, C; Bradforth, Stephen E.; and Brutchey, Richard L.  Chalcogenol Ligand Toolbox for CdSe Nanocrystals and Their Influence on Exciton Relaxation Pathways  ACS Nano, 8 (3), 2512–2521 (2014).  [DOI: 10.1021/nn406109vExternal link] [CEN]
176.Chang, Chia-Chi; Chi, Chun-Yung; Chen, Chun-Chung; Huang, Ningfeng; Arab, Shermin; Qiu, Jing; Povinelli, Michelle L. ; Dapkus, P. Daniel; and Cronin, Stephen B.  Carrier Dynamics and Doping Profiles in GaAs Nanosheets  Nano Research, 7, 163 (2014).  [DOI: 10.1007/s12274-013-0383-xExternal link] [CEN]
177.Chang, Shun-Wen; Bergemann, Kevin; Dhall, Rohan; Zimmerman, Jeramy D.; Forrest, Stephen R.; and Cronin, Stephen B.  Non-Ideal Diode Behavior and Band Gap Renormalization in Carbon Nanotube P-N Junctions  IEEE Trans. Nanotechnology, 13(1), 41-45 (2014).  [DOI: 10.1109/TNANO.2013.2287124External link] [CEN]
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