Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT

Khadiza Begam , Srijana Bhandari , Buddhadev Maiti , Barry D. Dunietz
Journal of Chemical Theory and Computation 16 ( 5) 3287 -3293

7
2020
What Is the Optoelectronic Effect of the Capsule on the Guest Molecule in Aqueous Host/Guest Complexes? A Combined Computational and Spectroscopic Perspective

Srijana Bhandari , Zilong Zheng , Buddhadev Maiti , Chi-Hung Chuang
Journal of Physical Chemistry C 121 ( 28) 15481 -15488

1
2017
3
2020
Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective

Buddhadev Maiti , Alexander Schubert , Sunandan Sarkar , Srijana Bhandari
Chemical Science 8 ( 10) 6947 -6953

22
2017
Cyanide Bridged Platinum-Iron Complexes as Cisplatin Prodrug Systems: Design and Computational Study.

Ariela W. Kaspi‐Kaneti , Srijana Bhandari , Alexander Schubert , Songping D. Huang
ChemPhysChem 22 ( 1) 106 -111

2021
Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives

Buddhadev Maiti , Kunlun Wang , Srijana Bhandari , Scott D. Bunge
Journal of Materials Chemistry C 7 ( 13) 3881 -3888

7
2019
Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals.

Srijana Bhandari , Margaret S. Cheung , Eitan Geva , Leeor Kronik
Journal of Chemical Theory and Computation 14 ( 12) 6287 -6294

68
2018
Excitonic Interactions in Bacteriochlorin Homo-Dyads Enable Charge Transfer: A New Approach to the Artificial Photosynthetic Special Pair.

Christopher McCleese , Zhanqian Yu , Nopondo N. Esemoto , Charles Kolodziej
Journal of Physical Chemistry B 122 ( 14) 4131 -4140

7
2018
Efficient Charge Generation via Hole Transfer in Dilute Organic Donor-Fullerene Blends.

Yin Song , Alexander Schubert , Xiao Liu , Srijana Bhandari
Journal of Physical Chemistry Letters 11 ( 6) 2203 -2210

6
2020
Intersystem crossing in tetrapyrrolic macrocycles. A first-principles analysis

Srijana Bhandari , Sunandan Sarkar , Alexander Schubert , Atsushi Yamada
The Journal of Physical Chemistry C 125 ( 24) 13493 -13500

7
2021
Correlating interfacial charge transfer rates with interfacial molecular structure in the tetraphenyldibenzoperiflanthene/C70 organic photovoltaic system

Jacob Tinnin , Srijana Bhandari , Pengzhi Zhang , Eitan Geva
The Journal of Physical Chemistry Letters 13 ( 3) 763 -769

4
2022
Visible light-activatable platinum (iv) prodrugs harnessing CD36 for ovarian cancer therapy

Amarasooriya MDS Jayawardhana , Srijana Bhandari , Ariela W Kaspi-Kaneti , Man Kshetri
Dalton Transactions 52 ( 31) 10942 -10950

2
2023
A Computational Study of the Electronic Energy and Charge Transfer Rates and Pathways in the Tetraphenyldibenzoperiflanthene/Fullerene Interfacial Dyad

Alexander Schubert , Srijana Bhandari , Eitan Geva , Barry D Dunietz
The Journal of Physical Chemistry Letters 14 ( 43) 9569 -9583

2023
First Charge Transfer Measurements in Synthetic Symmetrical Bacteriochlorin Dyads

Christopher McCleese , Buddhadev Maiti , Srijana Bhandari , Zhanqian Yu
FEMTOSECOND TIME-RESOLVED SPECTROSCOPY STUDIES OF INTERFACIAL CHARGE SEPARATION PROCESSES 119 -119

2017
Efficient Charge Generation Via Hole Transfer

Yin Song , Alexander Schubert , Xiao Liu , Srijana Bhandari

Mutually Orthogonal Bioconjugation of Vinyl Nucleosides for RNA Metabolic Labeling

Mrityunjay Gupta , Monika Singha , Dnyaneshwar B Rasale , Zehao Zhou
Organic Letters 23 ( 18) 7183 -7187

11
2021
On the role of the special pair in photosystems as a charge transfer rectifier

Huseyin Aksu , Alexander Schubert , Srijana Bhandari , Atsushi Yamada
J. Phys. Chem. B 124 1987 -1994

17
2020
Achieving Predictive Description of Negative Differential Resistance in Molecular Junctions Using a Range‐Separated Hybrid Functional

Srijana Bhandari , Atsushi Yamada , Austin Hoskins , Jameson Payne
Advanced Theory and Simulations https://doi.org/10.1002/adts.202000016 2000016 -2000016

4
2020