Jerzy Leszczynski (J Leszczynski)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 43

Top Topics

Density Functional Theory

Oxide Nanoparticles

Electron Transfer

Top Venues

The journal of physical chemistry. A

The journal of physical chemistry letters

Molecules (Basel, Switzerland)

Nanomaterials (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Jian-Ge Zhou, Yinan Shu, Yuchen Wang, Jerzy Leszczynski, Oleg V Prezhdo
Dissociation Time, Quantum Yield, and Dynamic Reaction Pathways in the Thermolysis of trans -3,4-Dimethyl-1,2-dioxetane. The journal of physical chemistry letters 15 (7) (2024)
Taylor A Dorlus, Juganta K Roy, Jerzy Leszczynski
Designing Thiadiazoloquinoxaline-Based Conjugated Polymers for Efficient Organic Photovoltaics: A DFT/TDDFT Study. Molecules (Basel, Switzerland) 29 (7) (2024)
Jian-Ge Zhou, Yinan Shu, Yuchen Wang, Jerzy Leszczynski, Oleg V Prezhdo
Dissociation Time, Quantum Yield, and Dynamic Reaction Pathways in the Thermolysis of trans -3,4-Dimethyl-1,2-dioxetane. The journal of physical chemistry letters 15 (7) (2024)
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
5-Amino-1,2,4-triazol-3-one Degradation by Indirect Photolysis: A Density Functional Theory Study. The journal of physical chemistry. A 128 (33) (2024)
Jian-Ge Zhou, Yinan Shu, Yuchen Wang, Jerzy Leszczynski, Oleg V Prezhdo
Dissociation Time, Quantum Yield, and Dynamic Reaction Pathways in the Thermolysis of trans -3,4-Dimethyl-1,2-dioxetane. The journal of physical chemistry letters (2024)
Taylor A Dorlus, Juganta K Roy, Jerzy Leszczynski
Designing Thiadiazoloquinoxaline-Based Conjugated Polymers for Efficient Organic Photovoltaics: A DFT/TDDFT Study. Molecules (Basel, Switzerland) 29 (7) (2024)
Jian-Ge Zhou, Yinan Shu, Yuchen Wang, Jerzy Leszczynski, Oleg V Prezhdo
Dissociation Time, Quantum Yield, and Dynamic Reaction Pathways in the Thermolysis of trans -3,4-Dimethyl-1,2-dioxetane. The journal of physical chemistry letters 15 (7) (2024)
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
5-Amino-1,2,4-triazol-3-one Degradation by Indirect Photolysis: A Density Functional Theory Study. The journal of physical chemistry. A (2024)
Andrey A Toropov, Alla P Toropova, Danuta Leszczynska, Jerzy Leszczynski
Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Andrey A Toropov, Alla P Toropova, Alessandra Roncaglioni, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
The System of Self-Consistent Models: The Case of Henry's Law Constants. Molecules (Basel, Switzerland) 28 (20) (2023)
Ishanka N Rajapaksha, Jing Wang, Jerzy Leszczynski, Colleen N Scott
Investigating the Effects of Donors and Alkyne Spacer on the Properties of Donor-Acceptor-Donor Xanthene-Based Dyes. Molecules (Basel, Switzerland) 28 (13) (2023)
Arthur Omran, Asbell Gonzalez, César Menor-Salván, Michael Gaylor, Jing Wang, Jerzy Leszczynski, Tian Feng
Serpentinization-Associated Mineral Catalysis of the Protometabolic Formose System. Life (Basel, Switzerland) 13 (6) (2023)
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
Role of Molecular Singlet Oxygen in Photochemical Degradation of NTO: DFT Study. The journal of physical chemistry. A (2023)
Andrey A Toropov, Alla P Toropova, Danuta Leszczynska, Jerzy Leszczynski
Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Maninderjeet Singh, Priyanka Das, Pabitra Narayan Samanta, Sumit Bera, Rukshan Thantirige, Brian Shook, Roushanak Nejat, Banarji Behera, Qiqi Zhang, Qilin Dai, Avijit Pramanik, Paresh Ray, Dharmaraj Raghavan, Jerzy Leszczynski, Alamgir Karim, Nihar R Pradhan
Ultrahigh Capacitive Energy Density in Stratified 2D Nanofiller-Based Polymer Dielectric Films. ACS nano (2023)
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
Degradation of NTO induced by superoxide and hydroperoxyl radicals: a comprehensive DFT study. Physical chemistry chemical physics : PCCP (2023)
Pabitra Narayan Samanta, Devashis Majumdar, Jerzy Leszczynski
Elucidating Atomistic Insight into the Dynamical Responses of the SARS-CoV-2 Main Protease for the Binding of Remdesivir Analogues: Leveraging Molecular Mechanics To Decode the Inhibition Mechanism. Journal of chemical information and modeling (2023)
Qing Yun Li, Ravinder Kaur, William E Meador, Juganta K Roy, Jerzy Leszczynski, Jared H Delcamp
Fused Double Donor Design with a Cross-Conjugated Dibenzosilin for Dye-Sensitized Solar Cells. ACS omega 8 (32) (2023)
Arthur Omran, Asbell Gonzalez, César Menor-Salván, Michael Gaylor, Jing Wang, Jerzy Leszczynski, Tian Feng
Serpentinization-Associated Mineral Catalysis of the Protometabolic Formose System. Life (Basel, Switzerland) 13 (6) (2023)
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
Role of Hydroxyl Radical in Degradation of NTO: DFT Study. The journal of physical chemistry. A (2023)
Andrey A Toropov, Alla P Toropova, Danuta Leszczynska, Jerzy Leszczynski
Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
V Kumar, Supratik Kar, P De, Kunal Roy, Jerzy Leszczynski
Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study. SAR and QSAR in environmental research 33 (5) (2022)
Priyanka De, Vinay Kumar, Supratik Kar, Kunal Roy, Jerzy Leszczynski
Repurposing FDA approved drugs as possible anti-SARS-CoV-2 medications using ligand-based computational approaches: sum of ranking difference-based model selection. Structural chemistry 33 (5) (2022)
Jian Xiong, Pabitra Narayan Samanta, Yifang Qi, Teresa Demeritte, Kira Williams, Jerzy Leszczynski, Qilin Dai
Enhanced Perovskite Solar Cell Performance via 2-Amino-5-iodobenzoic Acid Passivation. ACS applied materials & interfaces 14 (4) (2022)
Liudmyla K Sviatenko, Leonid Gorb, Jerzy Leszczynski
NTO Degradation by Nitroreductase: A DFT Study. The journal of physical chemistry. B 126 (32) (2022)
Supratik Kar, Kavitha Pathakoti, Danuta Leszczynska, Paul B Tchounwou, Jerzy Leszczynski
In vitro and in silico study of mixtures cytotoxicity of metal oxide nanoparticles to Escherichia coli : a mechanistic approach. Nanotoxicology 16 (5) (2022)
Jing Wang, Jiande Gu, Asif Rony, Maohong Fan, Jerzy Leszczynski
Theoretical DFT Study on the Mechanisms of CO/CO2 Conversion in Chemical Looping Catalyzed by Calcium Ferrite. The journal of physical chemistry. A 125 (37) (2021)
Agnieszka Gajewicz-Skretna, Supratik Kar, Magdalena Piotrowska, Jerzy Leszczynski
The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation models. Journal of cheminformatics 13 (1) (2021)
Supratik Kar, Hans Sanderson, Kunal Roy, Emilio Benfenati, Jerzy Leszczynski
Green Chemistry in the Synthesis of Pharmaceuticals. Chemical reviews 122 (3) (2021)
Andrey A Toropov, Alla P Toropova, Aleksandar M Veselinović, Danuta Leszczynska, Jerzy Leszczynski
SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model. Journal of biomolecular structure & dynamics (2020)
Sajith M Vijayan, Nicholas Sparks, Juganta K Roy, Cameron Smith, Christopher Tate, Nathan I Hammer, Jerzy Leszczynski, Davita L Watkins
Evaluating Donor Effects in Isoindigo-Based Small Molecular Fluorophores. The journal of physical chemistry. A 124 (51) (2020)
Probir Kumar Ojha, Supratik Kar, Jillella Gopala Krishna, Kunal Roy, Jerzy Leszczynski
Therapeutics for COVID-19: from computation to practices-where we are, where we are heading to. Molecular diversity 25 (1) (2020)
Leonid Gorb, Anatolii Pekh, Alexey Nyporko, Mykola Ilchenko, Anastasiia Golius, Tetiana Zubatiuk, Roman Zubatyuk, Igor Dubey, Dmytro M Hovorun, Jerzy Leszczynski
Effect of Microenvironment on the Geometrical Structure of d(A)5 d(T)5 and d(G)5 d(C)5 DNA Mini-Helixes and the Dickerson Dodecamer: A Density Functional Theory Study. The journal of physical chemistry. B 124 (42) (2020)
Mehedi Khan, Supratik Kar, Jing Wang, Jerzy Leszczynski
Theoretical study of formate, tartrate, tartronate, and glycolate production from 6-carbon trioxylate intermediate in the citric acid cycle. Journal of molecular modeling 25 (12) (2019)
Oksana Tsendra, Adrian Daniel Boese, Olexandr Isayev, Leonid Gorb, Andrea Michalkova Scott, Frances C Hill, Mykola M Ilchenko, Victor Lobanov, Danuta Leszczynska, Jerzy Leszczynski
Adsorption of nitrogen-containing compounds on hydroxylated α-quartz surfaces. RSC advances 9 (62) (2019)
Supratik Kar, Jerzy Leszczynski
Exploration of Computational Approaches to Predict the Toxicity of Chemical Mixtures. Toxics 7 (1) (2019)
Liudmyla K Sviatenko, Leonid Gorb, Danuta Leszczynska, Sergiy I Okovytyy, Manoj K Shukla, Jerzy Leszczynski
Role of Singlet Oxygen in the Degradation of Selected Insensitive Munitions Compounds: A Comprehensive, Quantum Chemical Investigation. The journal of physical chemistry. A 123 (35) (2019)
Roman Zubatyuk, Justin S Smith, Jerzy Leszczynski, Oleksandr Isaev
Accurate and transferable multitask prediction of chemical properties with an atoms-in-molecules neural network. Science advances 5 (8) (2019)
Juganta K Roy, Supratik Kar, Jerzy Leszczynski
Optoelectronic Properties of C60 and C70 Fullerene Derivatives: Designing and Evaluating Novel Candidates for Efficient P3HT Polymer Solar Cells. Materials (Basel, Switzerland) 12 (14) (2019)
Juganta K Roy, Supratik Kar, Jerzy Leszczynski
Insight into the optoelectronic properties of designed solar cells efficient tetrahydroquinoline dye-sensitizers on TiO2(101) surface: first principles approach. Scientific reports 8 (1) (2018)
Karina Kapusta, Natalia Sizochenko, Sedat Karabulut, Sergiy Okovytyy, Eugene Voronkov, Jerzy Leszczynski
QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors. Journal of molecular modeling 24 (3) (2018)
Lucky Ahmed, Bakhtiyor Rasulev, Supratik Kar, Paweł Krupa, Magdalena A Mozolewska, Jerzy Leszczynski
Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose. Nanoscale 9 (29) (2018)
Maryam Emami Khansari, Ali Mirchi, Avijit Pramanik, Corey R Johnson, Jerzy Leszczynski, Md Alamgir Hossain
Remarkable hexafunctional anion receptor with operational urea-based inner cleft and thiourea-based outer cleft: Novel design with high-efficiency for sulfate binding. Scientific reports 7 (1) (2017)