Note: Recent theses are included at the bottom of this listing.
135. Sourav Palchowdhury, Kallol Mukherjee, and Mark Maroncelli, “Rapid Water Dynamics Structures the OH-Stretching Spectra of Solitary Water in Ionic Liquids and Dipolar Solvents,” J. Chem. Phys. 157, 084502:1-15 (2022). DOI: 10.1063/5.0107348
134. Kallol Mukherjee, Sourav Palchowdhury, and Mark Maroncelli, “OH Stretching and Libration Bands of Solitary Water in Ionic Liquids and Dipolar Solvents Share a Single Dependence on Solvent Polarity,” J. Phys. Chem. B 126, 4584-4598 (2022). DOI: 10.1021/acs.jpcb.2c02445
133. Marissa Saladin and Mark Maroncelli, “Electron Transfer Kinetics between an Electron-Accepting Ionic Liquid and Coumarin Dyes,” J. Phys. Chem. B 124,11431-11445 (2020). DOI: 10.1021/acs.jpcb.0c06839
132. Marissa Saladin, Christopher A. Rumble, Durgesh V. Wagle, Gary A. Baker, and Mark Maroncelli, “Characterization of a New Electron Donor-Acceptor Dyad in Conventional Solvents and Ionic Liquids,” J. Phys. Chem. B 123, 9395-9407 (2019). DOI: 10.1021/acs.jpcb.9b07077
131. Marissa Saladin, Mark Maroncelli, and Hemant P. Yennawar, “n-Decyltrimethylammonium bromide,” IUCrData 4, x190933 (2019). DOI: 10.1107/S2414314619009337
130. Zhuoran Kuang, Qianjin Guo, Xian Wang, Hongwei Song, Mark Maroncelli, and Andong Xia, “Ultrafast Ground-State Intramolecular Proton Transfer in Diethylaminohydroxyflavone Resolved with Pump-Dump-Probe Spectroscopy,” J. Phys. Chem. Lett. 9, 4174-4181 (2018). DOI: 10.1021/acs.jpclett.8b01826
129. Brian Conway, Caleb Uitvlugt, and Mark Maroncelli, “Simulations of 1-Butyl-3-methylimidazolium Tetrafluoroborate + Acetonitrile Mixtures: Force-Field Validation and Frictional Characteristics,” J. Phys. Chem. B 122, 7385-7393. (2018) DOI: 10.1021/acs.jpcb.8b04341
128. Boning Wu, Min Liang, Nicole Zmich, Jasmine Hatcher, Sharon Lall-Ramnarine, James Wishart, Edward W. Castner, Jr., and Mark Maroncelli, “Photo-induced Bimolecular Electron Transfer in Ionic Liquids: Cationic Electron Donors,” J. Phys. Chem. B 122, 2379-2388 (2018). DOI: 10.1021/acs.jpcb.7b12542.
127. Shudipto K. Dishari, Christopher A. Rumble, Mark Maroncelli, Joseph A. Dura, and Michael Hickner, “Unraveling the Complex Hydration Behavior of Ionomers Under Thin Film Confinement,” J. Phys. Chem. C 122, 3471-3481 (2018). DOI: 10.1021/acs.jpcc.7b11888
126. Christopher A. Rumble and Mark Maroncelli, “Solvent Controlled Intramolecular Electron Transfer in Mixtures of 1-Butyl-3-Methylimidizolium Tetrafluoroborate and Acetonitrile,” J. Chem. Phys. 148, 193801 (1-7) 2018. DOI: 10.1063/1.5000727
125. Boning Wu, Mark Maroncelli, and Edward W. Castner, Jr., “Photoinduced Bimolecular Electron Transfer in Ionic Liquids,” J. Am. Chem. Soc. 139, 14568−14585 (2017). DOI: 10.1021/jacs.7b07611
124. Christopher A. Rumble, Caleb Uitvlugt, Brian Conway, and Mark Maroncelli, “Solute Rotation in Ionic Liquids: Size, Shape, and Electrostatic Effects,” J. Phys. Chem. B 121, 5094-5109 (2017). DOI: 10.1021/acs.jpcb.7b01704
123. Christopher A. Rumble, Jens Breffke, and Mark Maroncelli, “Solvation Dynamics and Proton Transfer in Diethylaminohydroxyflavone,” J. Phys. Chem. B 121, 630-637 (2017). DOI: 10.1021/acs.jpcb.6b12146
122. Christopher A. Rumble, Anne Kaintz, Sharad K. Yadav, Brian Conway, Juan C. Araque, Gary A. Baker, Claudio Margulis, and Mark Maroncelli, “Rotational Dynamics in Ionic Liquids from NMR Relaxation Experiments and Simulations: Benzene and 1-Ethyl-3-Methylimidazolium,” J. Phys. Chem. B 120, 9450-9467 (2016). DOI: 10.1021/acs.jpcb.6b06715
121. Madeline E. Sherlock, Christopher Rumble, Chun Kit Kwok, Jens Breffke, Mark Maroncelli, and Philip C. Bevilacqua, “Steady-State and Time-Resolved Studies into the Origin of the Intrinsic Fluorescence of G-Quadruplexes,” J. Phys. Chem. B 120, 5146-5158 (2016). DOI: 10.1021/acs.jpcb.6b03790
120. Lianjie Xue, George Tamas, Yung P. Koh, Michael Shadeck, Eshan Gurung, Sindee L. Simon, Mark Maroncelli, and Edward L. Quitevis, “Effect of Alkyl Chain Branching on Physicochemical Properties of Imidazolium-Based Ionic Liquids,” J. Chem. Eng. Data 61, 1078-1091 (2016). DOI: 10.1021/acs.jced.5b00658
119. Boning Wu, Min Liang, Mark Maroncelli, and Edward W. Castner, Jr., “Photo-Induced Bimolecular Electron Transfer from Cyano-Anions in Ionic Liquids,” J. Phys. Chem. B, 119, 14790-14799 (2015). DOI: 10.1021/acs.jpcb.5b09216
118. Xin-Xing Zhang, Jens Breffke, Nikolaus P. Ernsting, and Mark Maroncelli, “Observations of Probe Dependence in the Solvation Dynamics in Ionic Liquids, Phys. Chem. Chem. Phys. 17, 12949-12956 (2015). DOI: 10.1039/C5CP00814J
117. Juan C. Araque, Sharad K. Yadav, Michael Shadeck, Mark Maroncelli, and Claudio J. Margulis, “How is Diffusion of Neutral and Charged Tracers Related to the Structure and Dynamics of a Room-Temperature Ionic-Liquid? Large Deviations from Stokes-Einstein Behavior Explained,” J. Phys. Chem. B 119, 7015-7029 (2015). DOI: 10.1021/acs.jpcb.5b01093
116. Jens Breffke, Brian W. Williams, and Mark Maroncelli, “The Photophysics of Three Naphthylmethylene Malononitriles,” J. Phys. Chem. B 119, 9254-9267 (2015). DOI: 10.1021/jp509882q
115. Min Liang, Xin-Xing Zhang, Anne Kaintz, Nikolaus P. Ernsting, and Mark Maroncelli, “Solvation Dynamics in a Prototypical Ionic Liquid + Dipolar Aprotic Liquid Mixture: 1-Butyl-3-Methylimidazolium Tetrafluoroborate + Acetonitrile,” J. Phys. Chem. B 118, 1340-1352 (2014). DOI: 10.1021/jp412086t
114. Y. Guo a, X. Yu, W. Xue, S. Huang, Jing Dong, L. Wei, Mark Maroncelli, and Hongping Li, “Synthesis, Structures, and Properties of a Fluoranthene-based Biphenol Polymer as a Fluorescent Nano-thermometer,” Chem. Eng. J. 240, 319-330 (2014). DOI: 10.1016/j.cej.2013.11.081
113. Minako Kondo, Xiang Li and Mark Maroncelli, “Characterization of trans-2-[4-[(Dimethylamino)styryl]benzothiazole as an Ultrafast Isomerization Probe and a Modified Kramers Theory Analysis,” J. Phys. Chem. B 117, 12224–12233 (2013). DOI: 10.1021/jp407319f
112. Anne Kaintz, Gary Baker, Alan Benesi, and Mark Maroncelli, “Solute Diffusion in Ionic Liquids, NMR Measurements and Comparisons to Conventional Solvents,” J. Phys. Chem. B 117, 11697–11708 (2013). DOI: 10.1021/jp405393d See also the correction: J. Phys. Chem. B 118, 5615 (2014). DOI: 10.1021/jp504170a
111. Xin-Xing Zhang, Min Liang, Johannes Hunger, Richard Buchner, and Mark Maroncelli, “Dielectric Relaxation and Solvation Dynamics in a Prototypical Ionic Liquid + Dipolar Protic Liquid Mixture: 1-Butyl-3-Methylimidazolium Tetrafluoroborate + Water,” J. Phys. Chem. B 117, 15356-15368 (2013). DOI: 10.1021/jp4043528
110. Xin-Xing Zhang, Min Liang, Nikolaus P. Ernsting, and Mark Maroncelli, “Conductivity and Solvation Dynamics in Ionic Liquids,” J. Phys. Chem. Lett. 4, 1205-1210 (2013). DOI: 10.1021/jz400359r
109. Christopher Rumble, Kacie Rich, Gang He, and Mark Maroncelli, “CCVJ Is Not a Simple Rotor Probe,” J. Phys. Chem., 116, 10786-92 (2012).
DOI: 10.1021/jp309019g
108. Hemant Yennawar, Gang He, Christopher Rumble, and Mark Maroncelli, “2-Cyano-3-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)prop-2-enoic acid dimethyl sulfoxide monosolvate,” Acta Cryst., E68, o3204-o3205, (2012)
DOI: 10.1107/S1600536809023678
107. Xin-Xing Zhang, Min Liang, Nikolaus P. Ernsting, and Mark Maroncelli, ” The Complete Solvation Response of Coumarin 153 in Ionic Liquids,” J. Phys. Chem. B 117, 4291-4304 (2013).
DOI: 10.1021/jp305430a
106. Durba Roy and Mark Maroncelli, “Solvation and Solvation Dynamics in an Idealized Ionic Liquid Model,” J. Phys. Chem. B 116, 5951-5970 (2012).
DOI: 10.1021/jp301359w
105. Min Liang, Anne Kaintz, Gary A. Baker, and Mark Maroncelli, “Bimolecular Electron Transfer in Ionic Liquids: Are Reaction Rates Anomalously High?” J. Phys. Chem. B 116, 1370-1384 (2012).
DOI: 10.1021/jp210892c
104. Mark Maroncelli, Xin-Xing Zhang, Min Liang, Durba Roy, and Nikolaus P. Ernsting,
“Measurements of the Complete Solvation Response of Coumarin 153 in Ionic Liquids and the Accuracy of Simple Dielectric Continuum Predictions,” Disc. Faraday Soc., 154, 409-414 (2012).
DOI: 10.1039/C1FD00058F
103. Xiang Li, Min Liang, Anjan Chakraborty, Minako Kondo, and Mark Maroncelli, “Solvent-Controlled Intramolecular Electron Transfer in Ionic Liquids,” J. Phys. Chem. B 115, 6592-6607 (2011).
DOI: 10.1021/jp200339e
102. Edward W. Castner, Jr., Claudio J. Margulis, Mark Maroncelli, and James F. Wishart, “Ionic Liquids: Structure and Photochemical Reactions,” Ann. Rev. Phys. Chem. 62, 85-105 (2011).
DOI: 10.1146/annurev-physchem-032210-103421
101. Durba Roy and Mark Maroncelli, “An Improved 4-Site Ionic Liquid Model,” J. Phys. Chem. B 114, 12629-12631 (2010).
DOI: 10.1021/jp108179n
100. Xiang Li and Mark Maroncelli, “Solvent Controlled Electron Transfer in Crystal Violet Lactone,” J. Phys. Chem. A 115, 3746-3754 (2011).
DOI: 10.1021/jp106240x
99. Durba Roy, Nikhil Patel, Sean Conte, and Mark Maroncelli, “Dynamics in an Idealized Ionic Liquid Model,” J. Phys. Chem. B 114, 8410-8424 (2010).
DOI: 10.1021/jp1004709
98. Hui Jin, Min Liang, Sergei Arshantsev, Xiang Li, and Mark Maroncelli,
“Photophysical Characterization of Benzylidene Malononitriles as Probes of Solvent Friction,”
J. Phys. Chem. B 114, 7565-7578 (2010).
DOI: 10.1021/jp100908a
97. Chet Swalina and Mark Maroncelli, “Nonradiative Deactivation in Benzylidene
Malononitriles,” J. Phys.Chem. C114, 5602-5610 (2010).
DOI: 10.1021/jp907319n
96. Min Liang, Hemant Yennawar, and Mark Maroncelli, “2-[(2,3,6,7-Tetrahydro-1H,5H-benzo[ij ]quinolizin-9-yl)methylene] propanedinitrile” Acta Cryst. E 65, o1687 (2009).
DOI: 10.1107/S1600536809023678
95. Chet Swalina, Sergei Arzhantsev, Hongping Li, and Mark Maroncelli, “Solvation & Solvatochromism in CO2-Expanded Liquids. 3. The Dynamics of Nonspecific Preferential Solvation” J. Phys. Chem. B 112, 14959-14970 (2008).
DOI: 10.1021/jp805620q
94. Chet Swalina, Sergei Arzhantsev, Hongping Li, and Mark Maroncelli, “Solvation & Solvatochromism in CO2-Expanded Liquids,” in Gas Expanded Liquids and Near-Critical Media, ACS Symposium Series, American Chemical Society, Vol. 1006, 95-111 (2009).
DOI: 10.1021/bk-2009-1006.ch005
93. Hui Jin, Bernie O’Hare, Jing Dong, Sergei Arzhantsev, Gary A. Baker, James F. Wishart, Alan J. Benesi, and Mark Maroncelli, “Physical Properties of Ionic Liquids Consisting of the 1-Butyl-3-Methyl Imidazolium Cation with Various Anions and the Bis(trifluoromethylsulfonyl)imide Anion with Various Cations,” J. Phys. Chem. B. 112, 81-92 (2008).
DOI: 10.1021/jp076462h
92. Hui Jin, Xiang Li, and Mark Maroncelli, “Heterogeneous Solute Dynamics in Room-Temperature Ionic Liquids,” J. Phys. Chem. B. 111, 13473-13478 (2007).
DOI: 10.1021/jp077226+
91. Hui Jin, Gary A. Baker, Sergei Arzhantsev, Jing Dong, and Mark Maroncelli, “Survey of Solvation and Rotational Dynamics of Coumarin 153 in a Broad Range of Ionic Liquids and Comparisons to Conventional Solvents,” J. Phys. Chem. B 111, 7291-7302 (2007).
DOI: 10.1021/jp070923h
90. Hongping Li, Sergei Arzhantsev, and Mark Maroncelli, “Solvation & Solvatochromism in CO2-Expanded Liquids. 2. Experiment – Simulation Comparisons of Preferential Solvation in three Protoypical Mixtures” J. Phys. Chem. B 111, 3208-3221 (2007).
DOI: 10.1021/jp067916y
89. Sergei Arzhantsev, Hui Jin, Gary Baker, and Mark Maroncelli, “Measurement of the Complete Solvation Response in Ionic Liquids,” J. Phys. Chem. B 111, 4978-4989 (2007).
DOI: 10.1021/jp067273m
88. Hongping Li and Mark Maroncelli, “Solvation & Solvatochromism in CO2-Expanded Liquids. 1. Simulations of the Solvent Systems CO2 + Cyclohexane, Acetonitrile, and Methanol,” J. Phys. Chem. B 110, 21189-21197 (2006).
DOI: 10.1021/jp064166j
87. T. Fujisawa, M. Terazima, Y. Kimura, and M. Maroncelli, “Resonance Raman Study of the Solvation of p-Nitroaniline in Supercritical Water,” Chem. Phys. Lett. 430, 303-308 (2006).
DOI: 10.1016/j.cplett.2006.09.019
86. Noritsugu Kometani, Yuji Hoshihara, and Mark Maroncelli, “Dyanmics in Supercritical Fluids Studied Using Ultrafast Pulse Laser Spectroscopy,” Rev. High Press. Sci. Tech. 16, 113-119 (2006).
85. Zemin Su and Mark Maroncelli, “Simulations of Solubilities and Solvation Free Energies in Supercritical Solvents,” J. Chem. Phys. 124, 164506:1-15 (2006).
DOI: 10.1063/1.2189245
84. Noritsugu Kometani, Sergei Arzhantzev, and Mark Maroncelli, “Polar Solvation and Solvation Dynamics in Supercritical CHF3: Results from Experiment and Simulation,” J. Phys. Chem. A 110, 3405-3413 (2006).
DOI: 10.1021/jp0564694
83. Sergei Arzhantsev, Hui Jin, Gary A. Baker, Naoki Ito, and Mark Maroncelli, “Solvation Dynamics in Ionic Liquids, Results from ps and fs Emission Spectroscopy,” in Femtochemistry VII, Fundamental Ultrafast Processes in Chemistry, Physics, and Biology , A. W. Castleman, Jr. and Michele L. Kimble eds. (Elsevier B.V. Ltd., 2006), p. 225-234.
82. Sergei Arzhantsev, Klaas A. Zachariasse, and Mark Maroncelli, “The Photophysics of trans-4-Dimethylamino-4′-Cyanostilbene and its use as a Solvation Probe,” J. Phys. Chem. A 110, 3454-3470 (2006).
DOI: 10.1021/jp0559231
81. Sergei Arzhantsev, Hui Jin, Naoki Ito, and Mark Maroncelli, “Observing the Complete Solvation Response of DCS in Imidazolium Ionic Liquids, from the Femtosecond to the Nanosecond Regimes,” Chem. Phys. Lett. 417, 524-529 (2006).
DOI: 10.1016/j.cplett.2005.10.062
80. Min Liu, Naoki Ito, Mark Maroncelli, David H. Waldeck, Anna M. Oliver, and Michael N. Paddon-Row, “Solvent Friction Effect on Intramolecular Electron Transfer,” J. Am. Chem. Soc. 127, 17867-17876 (2005).
DOI: 10.1021/ja055596a
79. S. Arzhantsev and M. Maroncelli, “Design and Characterization of a Femtosecond Spectrometer Based on Optical Kerr Gating,” Appl. Spectrosc. 59, 206-220 (2005).
78. K. Dahl, R. Biswas, N. Ito, and M. Maroncelli, “Solvent Dependence of the Spectra and Kinetics of the LE CT Reaction in Three Alkylaminobenzonitriles,” J. Phys. Chem. B 109, 1563-1585 (2005).
DOI: 10.1021/jp046605p
77. N. Ito, S. Arzhantsev, and M. Maroncelli, “The Probe Dependence of Solvation Dynamics and Rotation in the Ionic Liquid 1-Butyl-3-Methyl-Imidazolium Hexafluorophosphate,” Chem. Phys. Lett. 396, 83-91 (2004).
DOI: 10.1016/j.cplett.2004.08.018
76. N. Ito, S. Arzhantsev, M. Heitz, and M. Maroncelli, “Solvation and Rotational Dynamics of Coumarin 153 in Alkylphosphonium Ionic Liquids,” J. Phys. Chem. B 108, 5771-5777 (2004).
DOI: 10.1021/jp0499575
75. S. Arzhantsev, N. Ito, M. Heitz, and M. Maroncelli, “Solvation Dynamics of Coumarin 153 in Several Classes of Ionic Liquids: Cation Dependence of the Ultrafast Component,” Chem. Phys. Lett. 381, 278-286 (2003).
DOI: 10.1016/j.cplett.2003.09.131
74. W. Song and M. Maroncelli, “Local Density Augmentation in Neat Supercritical Fluids: The Role of Electrostatic Interactions,” Chem. Phys. Lett. 378, 410-419 (2003).
DOI: 10.1016/j.cplett.2003.07.003
73. W. Song, P. J. Rossky, and M. Maroncelli, “Modeling Alkane + Perfluroalkane Interactions using All-Atom Potentials: Failure of the Usual Combining Rules”, J. Chem. Phys. 119, 9145-9162 (2003).
DOI: 10.1063/1.1610435
72. K. Dahl, R. Biswas, and M. Maroncelli, “The Photophysics and Dynamics of
Diphenylbutadiene in Alkane and Perfluoroalkane Solvents” J. Phys. Chem. B 107,
7838-7853 (2003).
DOI: 10.1021/jp0300703
71. J. A. Ingram, R. S. Moog, N. Ito, R. Biswas, and M. Maroncelli, “Solute Rotation and Solvation Dynamics in a Room-Temperature Ionic Liquid”, J. Phys. Chem. B 107, 5926-5932 (2003).
DOI: 10.1021/jp034231e
70. R. Biswas, K. Dahl, and M. Maroncelli, “Rotation and Isomerization of Diphenylbutadiene and 4-(Methanol)-Stilbene in Supercritical CO2 – A Re-Examination,” J. Phys. Chem. B, 106, 11593-11595 (2002).
DOI: 10.1021/jp021538p
69. W. Song, N. Patel, and M. Maroncelli, “A 2-Site Model for Simulating Supercritical Fluoroform,” J. Phys. Chem. B 106, 8783-8789 (2002).
DOI: 10.1021/jp021079s
68. N. Patel, R. Biswas, and M. Maroncelli, “Solvation and Friction in Supercritical Fluids: Simulation – Experiment Comparisons in Diphenyl Polyene / CO2 Systems,” J. Phys. Chem. B 106, 7096-7114 (2002).
DOI: 10.1021/jp0206727
67. J. E. Lewis, R. Biswas, A. Robinson, and M. Maroncelli, “Local Density Augmentation in Supercritical Solvents: Electronic Shifts of Anthracene Derivatives,” J. Phys. Chem. B 105, 3306-3318 (2001).
DOI: 10.1021/jp0043672
66. W. Song, R. Biswas, and M. Maroncelli, “Intermolecular Interactions and Local Density Augmentation in Supercritical Solvation: A Survey of Simulation and Experimental Results,” J. Phys. Chem. A 104, 6924-6939 (2000).
DOI: 10.1021/jp000888d
65. P. V. Kumar and M. Maroncelli, “The Non-Separability of ‘Dielectric’ and ‘Mechanical’ Friction in Molecular Systems: A Molecular Dynamics Study”, J. Chem. Phys. 112, 5370-5381 (2000).
DOI: 10.1063/1.481107
64. M. L. Horng, K. Dahl, G. Jones II, and M. Maroncelli, “Electron Transfer in a Donor-Substituted Acridinium Dye: Evidence for Dynamical Solvent Control,” Chem. Phys. Lett. 315, 363-370 (1999).
DOI: 10.1016/S0009-2614(99)01258-0
63. R. Biswas, J. E. Lewis, and M. Maroncelli, “Electronic Spectral Shifts, Reorganization Energies, and Local Density Augmentation of C153 in Supercritical Solvents,” Chem. Phys. Lett. 310, 485-494 (1999).
62. S. R. Mente and M. Maroncelli, “Simulations of the Solvatochromism of Betaine-30,” J. Phys Chem. B 103, 7704-7719 (1999).
DOI: 10.1021/jp991549r
61. J. A. Gardecki and M. Maroncelli, “Solvation and Rotational Dynamics in Acetonitrile / Propylene Carbonate Mixture: A Binary System for Use in Dynamical Solvent Effect Studies,” Chem. Phys. Lett. 301, 571-578 (1999).
60. J. A. Gardecki and M. Maroncelli, “Comparison of the Single Wavelength and Spectral Reconstruction Methods for Determining the Solvation Response”, J. Phys. Chem. A 103, 1187-1197 (1999).
DOI: 10.1021/jp984004q
59. S. J. V. Frankland and M. Maroncelli, “Molecular Dynamics Simulations of Solvent Effects on the C-H Stretching Vibrations of Cyclohexane-d11 in Supercritical CO2 and Liquid Solvents,” J. Chem. Phys. 110, 1687- 1710 (1999). AN: 4212449
58. S. Mente, S. J. V. Frankland, L. Reynolds and M. Maroncelli, “Tests of Simple Classical Potentials for Hydrogen Bonding: 7-Azaindole and 1-Azacarbazole Complexes,” Chem. Phys. Lett. 293, 515-522 (1998).
57. J. A. Gardecki and M. Maroncelli, “A Set of Secondary Emission Standards for Calibration of Spectral Responsivity in Emission Spectroscopy”, Appl. Spectrosc. 52, 1179-1189 (1998).
56. S. Mente and M. Maroncelli, “Solvation and Excited-State Tautomerization of 7-Azaindole and 1-Azacarbazole: Computer Simulations in Water and Alcohol Solvents,” J. Phys. Chem. 102, 3860-3876 (1998).
DOI: 10.1021/jp980771d
55. B. M. Ladanyi and M. Maroncelli, “Mechanisms of Solvation of Polyatomic Solutes in Polar and Nondipolar Solvents: A Simulation Study”, J. Chem. Phys. 109, 3204-3221 (1998). AN: 4137232
54. J. E. Lewis and M. Maroncelli, “On the (Uninteresting) Dependence of the Absorption and Emission Transition Moments of Coumarin 153 on Solvent”, Chem. Phys. Lett. 282, 197-203 (1998).
53. E. W. Castner Jr. and M. Maroncelli, “Solvent Dynamics Derived from Optical Kerr Effect, Dielectric Dispersion, and Time-Resolved Stokes Shift Measurements: An Empirical Comparison, J. Mol. Liquids 77, 1-36 (1998).
52. M. P. Heitz and M. Maroncelli, “Rotation of Aromatic Solutes in Supercritical CO2: Are Rotation Times Anomalously Slow in the Near Critical Regime?,” J. Phys. Chem. 101, 5852-5868 (1997).
DOI: 10.1021/jp971096v
51. M. L. Horng, J. Gardecki, and M. Maroncelli, “The Rotational Dynamics of Coumarin 153: Time-Dependent Friction, Non-Hydrodynamic Behavior, and Dielectric Friction,” J. Phys. Chem. 101, 1030-1047 (1997).
DOI: 10.1021/jp962921v
50. M. Maroncelli, “Continuum Estimates of Rotational Dielectric Friction and Polar Solvation,” J. Chem. Phys. 106, 1545-1555 (1997).
49. R. M. Stratt and M. Maroncelli, “Nonreactive Dynamics in Solution: The Emerging Molecular View of Solvation Dynamics and Vibrational Relaxation,” J. Phys. Chem. 100, 12981-12996 (1996).
DOI: 10.1021/jp9608483
48. L. Reynolds, J. Gardecki, S. J. Frankland, M. L. Horng, M. Maroncelli, “Dipole Solvation in Non-Dipolar Solvents: Experimental Studies of Reorganization Energies and Solvation Dynamics,” J. Phys. Chem. 100, 10337-10354 (1996).
DOI: 10.1021/jp953110e
47. M. L. Horng, J. Gardecki, A. Papazyan, and M. Maroncelli, " Sub-Picosecond Measurements of Polar Solvation Dynamics: Coumarin 153 Revisited,” J. Phys. Chem. 99, 17311-17337 (1995).
DOI: 10.1021/j100048a004
46. P. V. Kumar and M. Maroncelli, “Polar Solvation Dynamics of Polyatomic Solutes: Simulation Studies in Acetonitrile and Methanol,” J. Chem. Phys. 103, 3038-3060 (1995).
45. J. Gardecki, M. L. Horng, A. Papazyan, and M. Maroncelli, “Ultrafast Measurements of the Dynamics of Solvation in Polar and Non-Dipolar Solvents,” J. Mol. Liquids 65/66, 49-57 (1995).
44. C. F. Chapman, R. S. Fee, and M. Maroncelli, “Measurements of the Solute Dependence of Solvation Dynamics in 1-Propanol: The Role of Specific Hydrogen Bonding Interactions,” J. Phys. Chem. 99, 4811-4819 (1995).
DOI: 10.1021/j100013a060
43. A. Papazyan and M. Maroncelli, “Rotational Dielectric Friction and Dipole Solvation: Tests of Theory Based on Simulations of Simple Model Solutions”, J. Chem. Phys. 102, 2888-2919 (1995).
42. R. Richert, F. Stickel, R. S. Fee, and M. Maroncelli, “Solvation Dynamics and the Dielectric Response in a Glass-Forming Solvent: From Picoseconds to Seconds,” Chem. Phys. Lett. 229, 302-308 (1994).
41. R. Jimenez, G. R. Fleming, P. V. Kumar, and M. Maroncelli, “Femtosecond Solvation Dynamics of Water,” Nature 369, 471-473 (1994). DOI: 10.1038/369471a0
40. S. J. Rosenthal, R. Jimenez, G. R. Fleming, P. V. Kumar, and M. Maroncelli, “Solvation Dynamics in Methanol: Experimental and Molecular Dynamics Simulation Studies,” J. Mol. Liquids 60, 25-56 (1994).
39. R. S. Fee and M. Maroncelli, “Estimating the Time-Zero Spectrum in Time-Resolved Emission Measurements of Solvation Dynamics,” Chem. Phys. 183, 235-247 (1994).
DOI: 10.1016/0301-0104(94)00019-0
38. M. Maroncelli, P. V. Kumar, A. Papazyan, M. L. Horng, S. J. Rosenthal, and G. R. Fleming, “Studies of the Inertial Component of Polar Solvation Dynamics,” in Ultrafast Reaction Dynamics and Solvent Effects, Y. Gauduel and P. J. Rossky eds. (American Institute of Physics, 1994), 310-333.
37. M. Maroncelli, “The Dynamics of Polar Solvation,” J. Mol. Liquids 57, 1-37 1993).
DOI: 10.1016/0167-7322(93)80045-W
36. A. Papazyan and M. Maroncelli, “On the Validity of the “Inverted Snowball” Picture of Solvation Dynamics,” J. Chem. Phys. 98, 6431-6436 (1993).
35. R. S. Moog, D. L. Bankert, and M. Maroncelli, “Rotational Diffusion of Coumarin 102 in Trifluoroethanol: The Case for Solvent Attachment,” J. Phys. Chem. 97, 1496-1501 (1993).
DOI: 10.1021/j100110a006
34. M. Maroncelli, V. P. Kumar, and A. Papazyan, “A Simple Interpretation of Polar Solvation Dynamics,” J. Phys. Chem. 97, 13-17 (1993).
DOI: 10.1021/j100103a004
33. C. F. Chapman, T. J. Marrone, R. S. Moog, and M. Maroncelli, “Excited-State Proton Transfer and Hydrogen-Bonding Dynamics in 7-Azaindole: Time-Resolved Fluorescence and Computer Simulation,” in Ultrafast Phenomena VIII J. L. Martin, A. Migus, G. A. Mourou, and A. H. Zewail eds. (Springer-Verlag, Heidelberg, 1993), 624-625.
32. H. X. Zhou, B. Bagchi, A. Papazyan, and M. Maroncelli, “Solvation Dynamics in a Brownian Dipole Lattice: A Comparison Between Theory and Computer Simulation,” J. Chem. Phys. 97, 9311-9320 (1992).
31. C. F. Chapman and M. Maroncelli, “The Excited-State Tautomerization of 7-Azaindole in Water,” J. Phys. Chem. 96, 8430-8441 (1992).
DOI: 10.1021/j100200a042
30. A. Papazyan and M. Maroncelli, “Simulations of Solvation in a Brownian Dipole Lattice,” J. Chem. Phys. 95, 9219-9241 (1991).
29. R. S. Moog and M. Maroncelli, “7-Azaindole in Alcohols: Solvation Dynamics and Proton Transfer,” J. Phys. Chem. 95, 10359-10369 (1991).
DOI: 10.1021/j100178a023
28. C. F. Chapman and M. Maroncelli, “Fluorescence Studies of Solvation and Solvation Dynamics in Ionic Solutions,” J. Phys. Chem. 95, 9095-9114 (1991).
DOI: 10.1021/j100176a016
27. R. S. Fee, J. A. Milsom, and M. Maroncelli, “Inhomogeneous Decay Kinetics and Apparent Solvent Relaxation at Low Temperatures,” J. Phys. Chem. 95, 5170-5181 (1991).
DOI: 10.1021/j100166a048
26. M. Maroncelli, “Computer Simulations of Solvation Dynamics in Acetonitrile,” J. Chem. Phys. 94, 2084-2103 (1991).
DOI: 10.1063/1.459932
25. M. Maroncelli, R. S. Fee, C. F. Chapman, and G. R.Fleming, “Dynamic Stokes Shift in Coumarin: Is It Only Relaxation?,” J. Phys. Chem. 95, 1012-1014 (1991).
DOI: 10.1021/j100155a096
24. R. S. Fee, C. F. Chapman, and M. Maroncelli, “Solvation Dynamics in N-Methyl Amides,” J. Phys. Chem. 94, 4929-4935 (1990).
DOI: 10.1021/j100375a032
23. M. Maroncelli and G. R. Fleming, “Picosecond Solvation Dynamics of Coumarin 153: The Importance of Molecular Aspects of Solvation,” J. Chem. Phys. 86, 6221-6239 (1987); 92, 3251 (1990).
DOI: 10.1063/1.452460
22. M. Maroncelli, J. MacInnis, and G. R. Fleming, “Polar Solvent Dynamics and Electron-Transfer Reactions,” Science 243, 1674-1681 (1989). DOI: 10.1126/science.243.489
21. G. R. Fleming and M. Maroncelli, “The Dynamics of Polar Solvation,” in Ultrafast Phenomena VI (Springer-Verlag, Heidelberg, 1988), p. 532-536.
20. M. Maroncelli and G. R. Fleming, “Computer Simulations of the Dynamics of Aqueous Solvation,” J. Chem. Phys. 89, 5044-5069 (1988).
DOI: 10.1063/1.455649
19. E. W. Castner, Jr., G. R. Fleming, B. Bagchi, and M. Maroncelli, “The Dynamics of Polar Solvation: Inhomogeneous Dielectric Continuum Models,” J. Chem. Phys. 89, 3519-3534 (1988).
18. D. Huang, M. Frenklach, and M. Maroncelli, “Energetics of Acetylene-Addition Mechanism of Diamond Growth,” J. Phys. Chem. 92, 6379-6381 (1988).
DOI: 10.1039/DC9888500199
17. M. Maroncelli and G. R. Fleming, “Comparison of Time-Resolved Fluorescence Stokes Shift Measurements to a Molecular Theory of Solvation Dynamics,” J. Chem. Phys. 89, 875-881 (1988).
16. M. Maroncelli, E. W. Castner, Jr., B. Bagchi, and G. R. Fleming, “Dipolar Solvation Dynamics,” Faraday Discuss. Chem. Soc. 85, 199-210 (1988).
DOI: 10.1039/DC9888500199
15. E. W. Castner, Jr., B. Bagchi, M. Maroncelli, S. P. Webb, A. J. Ruggiero, and G. R. Fleming, “The Dynamics of Polar Solvation,” Ber. Bunsenges, Phys. Chem. 92, 363-372 (1988).
14. E. W. Castner, Jr., M. Maroncelli, and G. R. Fleming, “Subpicosecond Resolution Studies of Solvation Dynamics in Polar Aprotic and Alcohol Solvents,” J. Chem. Phys. 86, 1090-1097 (1987).
13. R. G. Snyder, M. Maroncelli, H. L. Strauss, and V. M. Hallmark, “Temperature and Phase Behavior of Infrared Intensities: The Polymethylene Chain,” J. Phys. Chem. 90, 5623-5630 (1986).
DOI: 10.1021/j100280a030
12. M. Maroncelli, E. W. Castner, Jr., S. P. Webb, and G. R. Fleming, “Solvation Dynamics in Polar Liquids: Experiment and Simulation,” in Ultrafast Phenomena V, A. E. Seigman and G. R. Fleming eds., (SpringerVerlag, Heidelberg, 1986) p. 303-307.
11. M. Maroncelli, H. L. Strauss, and R. G. Snyder, “Structure of the n-Alkane Binary Solid n-C18H40/n-C21H44 by Infrared Spectroscopy and Calorimetry,” J. Phys. Chem. 89, 5260-5267 (1985).
DOI: 10.1021/j100270a028
10. G. A. Pubanz, M. Maroncelli, and J. W. Nibler, “Free Jet Spectroscopy by Coherent Raman Methods,” Proc. 1st Int. Laser Conf., Dallas, Texas (1985).
9. G. A. Pubanz, M. Maroncelli, and J. W. Nibler, “CARS Spectra of Van der Waals Complexes: The Structure of the CO2 Dimer,” Chem. Phys. Lett. 120, 313-317 (1985).
8. M. Maroncelli, H. L. Strauss, and R. G. Snyder, “On the CD2 Probe Infrared Method for Determining Polyethylene Chain Conformation,” J. Phys. Chem. 89, 4390-4395 (1985).
DOI: 10.1021/j100266a048
7. M. Maroncelli, G. A. Hopkins, J. W. Nibler, and T. R. Dyke, “Coherent Raman and Infrared Spectroscopy of HCN Complexes in Free Jet Expansions and in Equilibrium Samples,” J. Chem. Phys. 83, 2129-2146 (1985).
6. G. A. Hopkins, M. Maroncelli, J. W. Nibler, and T. R. Dyke, “Coherent Raman Spectroscopy of HCN Complexes,” Chem. Phys. Lett. 114, 97-102 (1985).
5. M. Maroncelli, H. L. Strauss, and R. G. Snyder, “The Distribution of Conformational Disorder in the High Temperature Phases of Crystalline n-Alkanes,” J. Chem. Phys. 82, 2811-2824 (1985).
4. G. Hopkins, M. Maroncelli, J. W. Nibler, H. Graener, and A. Laubereau, “Free Jet Spectroscopy by Coherent Raman Methods,” Raman Spectrosc., Proc. 9th Int. Conf., M. Tasubi (ed), 345-348 (1984).
3. R. G. Snyder, M. Maroncelli, H. Strauss, C. A. Elliger, D. G. Cameron, H. L. Casals, and H. H. Mantsch, “Distribution of Gauche Bonds in Crystalline n-C21H44 in Phase II,” J. Am. Chem. Soc. 105, 133-134 (1983).
DOI: 10.1021/ja00339a033
2. M. Maroncelli, S. P. Qi, H. L. Strauss, and R. G. Snyder, “Nonplanar Conformers and the Phase Behavior of Solid n-Alkanes,” J. Am. Chem. Soc. 104, 6237-6247 (1982).
DOI: 10.1021/ja00387a013
1. R. G. Snyder, M. Maroncelli, S. P. Qi, and H. L. Strauss, “Phase Transitions and Non-Planar Conformers in Crystalline n-Alkanes,” Science 214, 188-190 (1981).
Copies of any of these papers may be obtained by contacting maroncelli@psu.edu.
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