Artem Masunov
Artem Masunov
Associate Professor at University of Central Florida
Подтвержден адрес электронной почты в домене - Главная страница
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
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
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
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
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), 044109, 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
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
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
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
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
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
Theoretical study of urea. I. Monomers and dimers
A Masunov, JJ Dannenberg
The Journal of Physical Chemistry A 103 (1), 178-184, 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), 044106, 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
Supramolecular step in design of nonlinear optical materials: Effect of ππ stacking aggregation on hyperpolarizability
KY Suponitsky, AE Masunov
The Journal of chemical physics 139 (9), 094310, 2013
Quantum chemistry of the minimal CdSe clusters
P Yang, S Tretiak, AE Masunov, S Ivanov
The Journal of chemical physics 129 (7), 074709, 2008
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
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
Role of donor− acceptor strengths and separation on the two-photon absorption response of cytotoxic dyes: A TD-DFT Study
EA Badaeva, TV Timofeeva, A Masunov, S Tretiak
The Journal of Physical Chemistry A 109 (32), 7276-7284, 2005
Fluorescence emission of disperse red 1 in solution at room temperature
C Toro, A Thibert, L De Boni, AE Masunov, FE Hernandez
The Journal of Physical Chemistry B 112 (3), 929-937, 2008
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