☰

Sapana V Shedge - Publications

Affiliations: 
2018- University of California, Merced, Merced, CA, United States 
Area:
DFT, Theoretical Chemistry, Spectroscopy
Website:
https://www.researchgate.net/profile/Sapana_Shedge
Tree Info Similar researchers PubMed Report error

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Kocherzhenko AA, Shedge SV, Germaux PF, Heidarian M, Isborn CM. Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids. Journal of Visualized Experiments : Jove. PMID 32538916 DOI: 10.3791/60598  0.481
2019 Kocherzhenko AA, Shedge SV, Sosa Vazquez X, Maat J, Wilmer J, Tillack AF, Johnson LE, Isborn CM. Unraveling Excitonic Effects for the First Hyperpolarizabilities of Chromophore Aggregates The Journal of Physical Chemistry C. 123: 13818-13836. DOI: 10.1021/Acs.Jpcc.8B12445  0.454
2015 Wesolowski TA, Shedge S, Zhou X. Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure. Chemical Reviews. 115: 5891-928. PMID 25923542 DOI: 10.1021/Cr500502V  0.364
2014 Shedge SV, Zhou X, Wesolowski TA. Non-uniform Continuum Model for Solvated Species Based on Frozen-Density Embedding Theory: The Study Case of Solvatochromism of Coumarin 153. Chimia. 68: 609-14. PMID 25437779 DOI: 10.2533/Chimia.2014.609  0.471
2014 Shedge SV, Wesolowski TA. Nonuniform Continuum Model for Solvatochromism Based on Frozen‐Density Embedding Theory Chemphyschem. 15: 3291-3300. PMID 25171727 DOI: 10.1002/Cphc.201402351  0.429
2014 Humbert-Droz M, Zhou X, Shedge S, Wesolowski TA. How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations? Theoretical Chemistry Accounts. 133: 1405. DOI: 10.1007/S00214-013-1405-1  0.463
2013 Das S, Shedge SV, Pal S. Critical study of the charge transfer parameter for the calculation of interaction energy using the local hard-soft acid-base principle. The Journal of Physical Chemistry. A. 117: 10933-43. PMID 24066610 DOI: 10.1021/Jp407070H  0.327
2012 Shedge SV, Pal S, Köster AM. Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P 4 and adamantane Chemical Physics Letters. 552: 146-150. DOI: 10.1016/J.Cplett.2012.09.045  0.419
2012 Shedge SV, Joshi SP, Pal S. Behaviour of density functional theory for electric response properties at distorted geometries of molecules Theoretical Chemistry Accounts. 131: 1-10. DOI: 10.1007/S00214-012-1094-1  0.46
2010 Shedge SV, Carmona-Espíndola J, Pal S, Köster AM. Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed Kohn-Sham method: case study of the polarizabilities of disubstituted azoarene molecules. The Journal of Physical Chemistry. A. 114: 2357-64. PMID 20088563 DOI: 10.1021/Jp909966F  0.463
2008 Sophy KB, Shedge SV, Pal S. Noniterative density functional response approach: application to nonlinear optical properties of p-nitroaniline and its methyl-substituted derivatives. The Journal of Physical Chemistry. A. 112: 11266-72. PMID 18844334 DOI: 10.1021/Jp806204Q  0.457
Show low-probability matches.