New Design Strategy Toward NIR I Xanthene-Based Dyes
Rajapaksha, Ishanka, Chang, Hao, Xiong, Yao, Marder, Seth, Gwaltney, Steven R, Scott, Colleen N
Published in Journal of organic chemistry (02.10.2020)
Published in Journal of organic chemistry (02.10.2020)
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Computational modeling to understand the interaction of TMPyP4 with a G-quadruplex
Liyanage, Senal D, Bowleg, Jerrano L, Gwaltney, Steven R
Published in Journal of biomolecular structure & dynamics (23.10.2024)
Published in Journal of biomolecular structure & dynamics (23.10.2024)
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Second-order correction to perfect pairing: an inexpensive electronic structure method for the treatment of strong electron-electron correlations
Beran, Gregory J O, Head-Gordon, Martin, Gwaltney, Steven R
Published in The Journal of chemical physics (21.03.2006)
Published in The Journal of chemical physics (21.03.2006)
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Protein Binding Leads to Reduced Stability and Solvated Disorder in the Polystyrene Nanoparticle Corona
Somarathne, Radha P., Amarasekara, Dhanush L., Kariyawasam, Chathuri S., Robertson, Harley A., Mayatt, Railey, Gwaltney, Steven R., Fitzkee, Nicholas C.
Published in Small (Weinheim an der Bergstrasse, Germany) (01.06.2024)
Published in Small (Weinheim an der Bergstrasse, Germany) (01.06.2024)
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Xanthene‐Based Nitric Oxide‐Responsive Nanosensor for Photoacoustic Imaging in the SWIR Window
Rathnamalala, Chathuranga S. L., Hernandez, Selena, Lucero, Melissa Y., Swartchick, Chelsea B., Kalam Shaik, Abdul, Hammer, Nathan I., East, Amanda K., Gwaltney, Steven R., Chan, Jefferson, Scott, Colleen N.
Published in Angewandte Chemie International Edition (20.03.2023)
Published in Angewandte Chemie International Edition (20.03.2023)
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Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for Sulfur
Dickel, Doyl, Gwaltney, Steven R, Mun, Sungkwang, Baskes, Michael I, Horstemeyer, Mark F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.12.2018)
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Advances in methods and algorithms in a modern quantum chemistry program package
Shao, Yihan, Molnar, Laszlo Fusti, Jung, Yousung, Kussmann, Jörg, Ochsenfeld, Christian, Brown, Shawn T, Gilbert, Andrew T B, Slipchenko, Lyudmila V, Levchenko, Sergey V, O'Neill, Darragh P, DiStasio, Jr, Robert A, Lochan, Rohini C, Wang, Tao, Beran, Gregory J O, Besley, Nicholas A, Herbert, John M, Lin, Ching Yeh, Van Voorhis, Troy, Chien, Siu Hung, Sodt, Alex, Steele, Ryan P, Rassolov, Vitaly A, Maslen, Paul E, Korambath, Prakashan P, Adamson, Ross D, Austin, Brian, Baker, Jon, Byrd, Edward F C, Dachsel, Holger, Doerksen, Robert J, Dreuw, Andreas, Dunietz, Barry D, Dutoi, Anthony D, Furlani, Thomas R, Gwaltney, Steven R, Heyden, Andreas, Hirata, So, Hsu, Chao-Ping, Kedziora, Gary, Khalliulin, Rustam Z, Klunzinger, Phil, Lee, Aaron M, Lee, Michael S, Liang, Wanzhen, Lotan, Itay, Nair, Nikhil, Peters, Baron, Proynov, Emil I, Pieniazek, Piotr A, Rhee, Young Min, Ritchie, Jim, Rosta, Edina, Sherrill, C David, Simmonett, Andrew C, Subotnik, Joseph E, Woodcock, 3rd, H Lee, Zhang, Weimin, Bell, Alexis T, Chakraborty, Arup K, Chipman, Daniel M, Keil, Frerich J, Warshel, Arieh, Hehre, Warren J, Schaefer, 3rd, Henry F, Kong, Jing, Krylov, Anna I, Gill, Peter M W, Head-Gordon, Martin
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
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Molecular dynamics simulations of vinyl ester resin monomer interactions with a pristine vapor-grown carbon nanofiber and their implications for composite interphase formation
Nouranian, Sasan, Jang, Changwoon, Lacy, Thomas E., Gwaltney, Steven R., Toghiani, Hossein, Pittman, Charles U.
Published in Carbon (New York) (01.08.2011)
Published in Carbon (New York) (01.08.2011)
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Interatomic Potential for Hydrocarbons on the Basis of the Modified Embedded-Atom Method with Bond Order (MEAM-BO)
Mun, Sungkwang, Bowman, Andrew L, Nouranian, Sasan, Gwaltney, Steven R, Baskes, Michael I, Horstemeyer, Mark F
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.02.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.02.2017)
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Effect of graphene dispersion on the equilibrium structure and deformation of graphene/eicosane composites as surrogates for graphene/polyethylene composites: a molecular dynamics simulation
Chen, Shenghui, Lv, Qiang, Wang, Zhikun, Li, Chunling, Pittman, Charles U., Gwaltney, Steven R., Sun, Shuangqing, Hu, Songqing
Published in Journal of materials science (01.05.2017)
Published in Journal of materials science (01.05.2017)
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Molecular dynamics simulations of oxidized vapor-grown carbon nanofiber surface interactions with vinyl ester resin monomers
Jang, Changwoon, Nouranian, Sasan, Lacy, Thomas E., Gwaltney, Steven R., Toghiani, Hossein, Pittman, Charles U.
Published in Carbon (New York) (01.03.2012)
Published in Carbon (New York) (01.03.2012)
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Transformation of Triclosan by Fe(III)-Saturated Montmorillonite
Liyanapatirana, Chamindu, Gwaltney, Steven R, Xia, Kang
Published in Environmental science & technology (15.01.2010)
Published in Environmental science & technology (15.01.2010)
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