Tao Zeng

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 37

Top Topics

Molecular Dynamics Simulations

High Temperature

Perovskite Solar Cells

Energy Transfer

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Chemphyschem : a European journal of chemical physics and physical chemistry

Physical chemistry chemical physics : PCCP

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

Publications

Benny Jun Chen, Ekadashi Pradhan, Marcel Nooijen, Tao Zeng
Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (11) (2024)
Matthew Puzhistky, Ekadashi Pradhan, Andrei Nikolaev, Tao Zeng, Dan Fishlock, Arturo Orellana
Stability and reactivity of alkylidene dihydropyridines. Organic & biomolecular chemistry (2024)
Songhao Bao, Neil Raymond, Tao Zeng, Marcel Nooijen
Vibrational Electronic-Thermofield Coupled Cluster (VE-TFCC) Theory for Quantum Simulations of Vibronic Coupling Systems at Thermal Equilibrium. Journal of chemical theory and computation (2024)
Benny Jun Chen, Ekadashi Pradhan, Marcel Nooijen, Tao Zeng
Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Faizan Rasheed, Andrei Nikolaev, Anmol Dhesi, Tao Zeng, You Xuan Guo, Yarkali Krishna, Samira Komijani, Arturo Orellana
Mild and catalytic electrocyclizations of heptatrienyl anions. Chemical science 15 (21) (2024)
Matthew Puzhistky, Ekadashi Pradhan, Andrei Nikolaev, Tao Zeng, Dan Fishlock, Arturo Orellana
Stability and reactivity of alkylidene dihydropyridines. Organic & biomolecular chemistry 22 (20) (2024)
Faizan Rasheed, Andrei Nikolaev, Anmol Dhesi, Tao Zeng, You Xuan Guo, Yarkali Krishna, Samira Komijani, Arturo Orellana
Mild and catalytic electrocyclizations of heptatrienyl anions. Chemical science 15 (21) (2024)
Songhao Bao, Neil Raymond, Tao Zeng, Marcel Nooijen
Vibrational Electronic-Thermofield Coupled Cluster (VE-TFCC) Theory for Quantum Simulations of Vibronic Coupling Systems at Thermal Equilibrium. Journal of chemical theory and computation 20 (14) (2024)
Benny Jun Chen, Ekadashi Pradhan, Marcel Nooijen, Tao Zeng
Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (11) (2024)
Maryam Farmani, Seunghoon Lee, Tao Zeng, Cheol-Ho Choi
Chemoexcited Formation and Radiationless Decay Dynamics of Firefly Chromophore. The journal of physical chemistry letters (2024)
Konstantin Komarov, Woojin Park, Seunghoon Lee, Tao Zeng, Cheol-Ho Choi
Accurate Spin-Orbit Coupling by Relativistic Mixed-Reference Spin-Flip-TDDFT. Journal of chemical theory and computation (2023)
Ekadashi Pradhan, Tao Zeng
The Lack of Triplet Fusion for an Intramolecular Singlet Fission Chromophore: The Expected, the Unexpected, and a Reconciliation. The journal of physical chemistry letters (2023)
Konstantin Komarov, Woojin Park, Seunghoon Lee, Tao Zeng, Cheol-Ho Choi
Accurate Spin-Orbit Coupling by Relativistic Mixed-Reference Spin-Flip-TDDFT. Journal of chemical theory and computation 19 (3) (2023)
Faizan Rasheed, Jiaqi Shi, Tao Zeng, Yarkali Krishna, Dan Fishlock, Arturo Orellana
Soft Fluorination of 4-Alkylpyridines. Organic letters (2023)
Ekadashi Pradhan, Tao Zeng
The Lack of Triplet Fusion for an Intramolecular Singlet Fission Chromophore: The Expected, the Unexpected, and a Reconciliation. The journal of physical chemistry letters 15 (1) (2023)
E Ali McKnight, Ramon Arora, Ekadashi Pradhan, Yuriko H Fujisato, Ayonitemi J Ajayi, Mark Lautens, Tao Zeng, Christine M Le
BF 3 -Catalyzed Intramolecular Fluorocarbamoylation of Alkynes via Halide Recycling. Journal of the American Chemical Society (2023)
Ekadashi Pradhan, Tao Zeng
The Unified Hamiltonian Formalism of Spin-Orbit Jahn-Teller and Pseudo-Jahn-Teller Problems in All Axial Symmetries. Journal of chemical theory and computation (2023)
Jiarui Li, Tao Zeng, Yu Zhai, Ze-Xing Qu, Hui Li
Intermolecular resonance energy transfer between two lutein pigments in light-harvesting complex II studied by frenkel exciton models. Physical chemistry chemical physics : PCCP (2023)
Jiarui Li, Tao Zeng, Ze-Xing Qu, Yu Zhai, Hui Li
Energy transfer from two luteins to chlorophylls in light-harvesting complex II study by using exciton models with phase correction. Physical chemistry chemical physics : PCCP (2023)
Ekadashi Pradhan, Tao Zeng
Triplet Separation after the Fastest Intramolecular Singlet Fission in the Smallest Chromophore. Journal of chemical theory and computation (2023)
E Ali McKnight, Ramon Arora, Ekadashi Pradhan, Yuriko H Fujisato, Ayonitemi J Ajayi, Mark Lautens, Tao Zeng, Christine M Le
BF 3 -Catalyzed Intramolecular Fluorocarbamoylation of Alkynes via Halide Recycling. Journal of the American Chemical Society (2023)
Ekadashi Pradhan, Tao Zeng
Design of the Smallest Intramolecular Singlet Fission Chromophore with the Fastest Singlet Fission. The journal of physical chemistry letters 13 (48) (2022)
James Brown, Robert A Lang, Tao Zeng
Unified Hamiltonian Formalism of Jahn-Teller and Pseudo-Jahn-Teller Problems in Axial Symmetries. Journal of chemical theory and computation 17 (7) (2021)
Chuyi Ni, Yahao Huang, Tao Zeng, Daohong Chen, Hao Chen, Mingyang Wei, Andrew Johnston, Andrew H Proppe, Zhijun Ning, Edward H Sargent, Peng Hu, Zhenyu Yang
Thiophene Cation Intercalation to Improve Band-Edge Integrity in Reduced-Dimensional Perovskites. Angewandte Chemie (International ed. in English) 59 (33) (2020)
Ekadashi Pradhan, Seunghoon Lee, Cheol-Ho Choi, Tao Zeng
Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission Chromophores. The journal of physical chemistry. A 124 (40) (2020)
Yuki Kobayashi, Kristina F Chang, Tao Zeng, Daniel M Neumark, Stephen R Leone
Direct mapping of curve-crossing dynamics in IBr by attosecond transient absorption spectroscopy. Science (New York, N.Y.) 365 (6448) (2020)
Yuki Kobayashi, Tao Zeng, Daniel M Neumark, Stephen R Leone
NaI revisited: Theoretical investigation of predissociation via ultrafast XUV transient absorption spectroscopy. The Journal of chemical physics 151 (20) (2019)
Yuki Kobayashi, Tao Zeng, Daniel M Neumark, Stephen R Leone
Ab initio investigation of Br-3d core-excited states in HBr and HBr+ toward XUV probing of photochemical dynamics. Structural dynamics (Melville, N.Y.) 6 (1) (2019)
Thijs Stuyver, Bo Chen, Tao Zeng, Paul Geerlings, Frank De Proft, Roald Hoffmann
Do Diradicals Behave Like Radicals? Chemical reviews 119 (21) (2019)
Kun Wang, Tao Zeng
Hamiltonian formalism of spin-orbit Jahn-Teller and pseudo-Jahn-Teller problems in trigonal and tetragonal symmetries. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Achini Japahuge, Tao Zeng
Theoretical Studies of Singlet Fission: Searching for Materials and Exploring Mechanisms. ChemPlusChem 83 (4) (2018)
Tao Zeng, Soren K Mellerup, Dengtao Yang, Xiang Wang, Suning Wang, Kevin G Stamplecoskie
Identifying (BN)2-pyrenes as a New Class of Singlet Fission Chromophores: Significance of Azaborine Substitution. The journal of physical chemistry letters 9 (11) (2018)
Stevce Stefanoski, Gregory J Finkelstein, Matthew D Ward, Tao Zeng, Kaya Wei, Emma S Bullock, Christine M Beavers, Hanyu Liu, George S Nolas, Timothy A Strobel
Zintl Ions within Framework Channels: The Complex Structure and Low-Temperature Transport Properties of Na4Ge13. Inorganic chemistry 57 (4) (2018)
Martin Rahm, Tao Zeng, Roald Hoffmann
Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy. Journal of the American Chemical Society 141 (1) (2018)
Thijs Stuyver, Tao Zeng, Yuta Tsuji, Paul Geerlings, Frank De Proft
Diradical Character as a Guiding Principle for the Insightful Design of Molecular Nanowires with an Increasing Conductance with Length. Nano letters 18 (11) (2018)
Tao Zeng
A diabatization protocol that includes spin-orbit coupling. The Journal of chemical physics 146 (14) (2018)
Tao Zeng, Riley J Hickman, Aya Kadri, Issaka Seidu
General Formalism of Vibronic Hamiltonians for Tetrahedral and Octahedral Systems: Problems That Involve T, E States and t, e Vibrations. Journal of chemical theory and computation 13 (10) (2017)