| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 597 | 2016 |
| C− H bond-shortening upon hydrogen bond formation: Influence of an electric field A Masunov, JJ Dannenberg, RH Contreras The Journal of Physical Chemistry A 105 (19), 4737-4740, 2001 | 241 | 2001 |
| Potentials of mean force between ionizable amino acid side chains in water A Masunov, T Lazaridis Journal of the American Chemical Society 125 (7), 1722-1730, 2003 | 227 | 2003 |
| Phosphate ester hydrolysis of biologically relevant molecules by cerium oxide nanoparticles MH Kuchma, CB Komanski, J Colon, A Teblum, AE Masunov, B Alvarado, ... Nanomedicine: Nanotechnology, Biology and Medicine 6 (6), 738-744, 2010 | 215 | 2010 |
| Prediction of two-photon absorption properties for organic chromophores using time-dependent density-functional theory A Masunov, S Tretiak The Journal of Physical Chemistry B 108 (3), 899-907, 2004 | 206 | 2004 |
| Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability KY Suponitsky, S Tafur, AE Masunov The Journal of chemical physics 129 (4), 2008 | 193 | 2008 |
| Theoretical study of urea and thiourea. 2. Chains and ribbons A Masunov, JJ Dannenberg The Journal of Physical Chemistry B 104 (4), 806-810, 2000 | 181 | 2000 |
| Dopant-mediated oxygen vacancy tuning in ceria nanoparticles S Babu, R Thanneeru, T Inerbaev, R Day, AE Masunov, A Schulte, S Seal Nanotechnology 20 (8), 085713, 2009 | 175 | 2009 |
| Are hydrogen bonds covalent or electrostatic? A molecular orbital comparison of molecules in electric fields and H-bonding environments JJ Dannenberg, L Haskamp, A Masunov The Journal of Physical Chemistry A 103 (35), 7083-7086, 1999 | 159 | 1999 |
| Electronic hyperpolarizabilities for donor− acceptor molecules with long conjugated bridges: Calculations versus experiment KY Suponitsky, Y Liao, AE Masunov The Journal of Physical Chemistry A 113 (41), 10994-11001, 2009 | 152 | 2009 |
| Oxyphor 2P: a high-performance probe for deep-tissue longitudinal oxygen imaging TV Esipova, MJP Barrett, E Erlebach, AE Masunov, B Weber, ... Cell Metabolism 29 (3), 736-744. e7, 2019 | 129 | 2019 |
| Contributions to the binding free energy of ligands to avidin and streptavidin T Lazaridis, A Masunov, F Gandolfo Proteins: Structure, Function, and Bioinformatics 47 (2), 194-208, 2002 | 129 | 2002 |
| Structure and properties of cerium oxides in bulk and nanoparticulate forms S Gangopadhyay, DD Frolov, AE Masunov, S Seal Journal of Alloys and compounds 584, 199-208, 2014 | 118 | 2014 |
| Theoretical study of urea. I. Monomers and dimers A Masunov, JJ Dannenberg The Journal of Physical Chemistry A 103 (1), 178-184, 1999 | 115 | 1999 |
| Quantum chemistry of quantum dots: Effects of ligands and oxidation TM Inerbaev, AE Masunov, SI Khondaker, A Dobrinescu, AV Plamadă, ... The Journal of chemical physics 131 (4), 2009 | 109 | 2009 |
| Protonated nanoparticle surface governing ligand tethering and cellular targeting A Vincent, S Babu, E Heckert, J Dowding, SM Hirst, TM Inerbaev, WT Self, ... ACS nano 3 (5), 1203-1211, 2009 | 103 | 2009 |
| Supramolecular step in design of nonlinear optical materials: Effect of π… π stacking aggregation on hyperpolarizability KY Suponitsky, AE Masunov The Journal of chemical physics 139 (9), 2013 | 93 | 2013 |
| Theoretical study of photochromic compounds, part 2: Thermal mechanism for byproduct formation and fatigue resistance of diarylethenes used as data storage materials PD Patel, IA Mikhailov, KD Belfield, AE Masunov International Journal of Quantum Chemistry 109 (15), 3711-3722, 2009 | 88 | 2009 |
| Comparison of TD-DFT methods for the calculation of two-photon absorption spectra of oligophenylvinylenes IH Nayyar, AE Masunov, S Tretiak The Journal of Physical Chemistry C 117 (35), 18170-18189, 2013 | 81 | 2013 |
| Theoretical study of photochromic compounds. 1. Bond length alternation and absorption spectra for the open and closed forms of 29 diarylethene derivatives PD Patel, AE Masunov The Journal of Physical Chemistry A 113 (29), 8409-8414, 2009 | 79 | 2009 |
Subith VasuProfessor, University of Central Florida在 ucf.edu 的电子邮件经过验证
