| Frozen-density embedding strategy for multilevel simulations of electronic structure TA Wesolowski, S Shedge, X Zhou Chemical reviews 115 (12), 5891-5928, 2015 | 282 | 2015 |
| How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations? M Humbert-Droz, X Zhou, SV Shedge, TA Wesolowski Theoretical Chemistry Accounts 133, 1-20, 2014 | 52 | 2014 |
| Vibronic and environmental effects in simulations of optical spectroscopy TJ Zuehlsdorff, SV Shedge, SY Lu, H Hong, VP Aguirre, L Shi, CM Isborn Annual Review of Physical Chemistry 72, 165-188, 2021 | 42 | 2021 |
| Comparison of the Auxiliary Density Perturbation Theory and the Noniterative Approximation to the Coupled Perturbed Kohn− Sham Method: Case Study of the Polarizabilities of … SV Shedge, J Carmona-Espindola, S Pal, AM Koster The Journal of Physical Chemistry A 114 (6), 2357-2364, 2010 | 28 | 2010 |
| Frozen-density embedding strategy for multilevel simulations of electronic structure TA Wesołowski, S Shedge, X Zhou Chem. Rev 115, 5891-5928, 2015 | 27 | 2015 |
| Noniterative Density Functional Response Approach: Application to Nonlinear Optical Properties of p-Nitroaniline and Its Methyl-Substituted Derivatives KB Sophy, SV Shedge, S Pal The Journal of Physical Chemistry A 112 (44), 11266-11272, 2008 | 27 | 2008 |
| Effect of ions on the optical absorption spectra of aqueously solvated chromophores SV Shedge, TJ Zuehlsdorff, MJ Servis, AE Clark, CM Isborn The Journal of Physical Chemistry A 123 (29), 6175-6184, 2019 | 14 | 2019 |
| Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy SV Shedge, TJ Zuehlsdorff, A Khanna, S Conley, CM Isborn The Journal of Chemical Physics 154 (8), 2021 | 13 | 2021 |
| Nonuniform Continuum Model for Solvatochromism Based on Frozen‐Density Embedding Theory SV Shedge, TA Wesolowski ChemPhysChem 15 (15), 3291-3300, 2014 | 13 | 2014 |
| Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn–Sham approach for calculation of dipole–quadrupole … SV Shedge, S Pal, AM Köster Chemical Physics Letters 510 (4-6), 185-190, 2011 | 11 | 2011 |
| Unraveling excitonic effects for the first hyperpolarizabilities of chromophore aggregates AA Kocherzhenko, SV Shedge, X Sosa Vazquez, J Maat, J Wilmer, ... The Journal of Physical Chemistry C 123 (22), 13818-13836, 2019 | 10 | 2019 |
| Critical Study of the Charge Transfer Parameter for the Calculation of Interaction Energy Using the Local Hard–Soft Acid–Base Principle S Das, SV Shedge, S Pal The Journal of Physical Chemistry A 117 (42), 10933-10943, 2013 | 10 | 2013 |
| Molecular polariton electroabsorption CY Cheng, N Krainova, AN Brigeman, A Khanna, S Shedge, C Isborn, ... Nature communications 13 (1), 7937, 2022 | 8 | 2022 |
| Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P4 and adamantane SV Shedge, S Pal, AM Köster Chemical Physics Letters 552, 146-150, 2012 | 8 | 2012 |
| Non-uniform continuum model for solvated species based on Frozen-Density Embedding Theory: The study case of solvatochromism of coumarin 153 SV Shedge, X Zhou, TA Wesolowski Chimia 68 (9), 609-609, 2014 | 3 | 2014 |
| Behaviour of density functional theory for electric response properties at distorted geometries of molecules SV Shedge, SP Joshi, S Pal Theoretical Chemistry Accounts 131, 1-10, 2012 | 2 | 2012 |
| Excitonic Hamiltonians for calculating optical absorption spectra and optoelectronic properties of molecular aggregates and solids AA Kocherzhenko, SV Shedge, PF Germaux, M Heidarian, CM Isborn JoVE (Journal of Visualized Experiments), e60598, 2020 | 1 | 2020 |
| Calculating Absorption and Fluorescence Spectra for Chromophores in Solution with Ensemble Franck-Condon Methods A Khanna, S Shedge, T Zuehlsdorff, C Isborn | | 2024 |
| Axial H-bonding Solvent Controls Inhomogeneous Spectral Broadening, Peripheral H-bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol CA Myers, SY Lu, S Shedge, A Pyuskulyan, K Donahoe, L Shi, CM Isborn | | 2024 |
| New methods for revealing the effects of solvent in optical spectroscopy T Zuehlsdorff, AM Castillo, S Shedge, J Napoli, M Servis, A Clark, L Shi, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Xiuwen ZhouQueensland University of TechnologyVerified email at qut.edu.au
