Personal information

DSSC, TDDFT, Noncovalent interactions, Computational Chemistry
India

Activities

Employment (1)

St Berchmans College: Changanassery, Kerala, IN

2004-08-02 to present | Senior Assistant Professor (Chemistry)
Employment
Source: Self-asserted source
Renjith Thomas

Education and qualifications (2)

Bharathidasan University: Tiruchirappalli, Tamil Nadu, IN

PhD in Theoretical Chemistry (Chemistry)
Education
Source: Self-asserted source
Renjith Thomas

Gandhigram Rural Institute Deemed University: Gandhigram, Tamil Nadu, IN

2000-07 to 2002-05 | MSc (Chemistry (Gold Medal))
Education
Source: Self-asserted source
Renjith Thomas

Professional activities (5)

Kerala Academy of Sciences: Kerala, Kerala, IN

Membership
Source: Self-asserted source
Renjith Thomas

American Chemical Society: Washington, DC, US

Member
Membership
Source: Self-asserted source
Renjith Thomas

Chemistry Research Society of India: Bangalore, IN

2024-12 to present | Life Member
Membership
Source: Self-asserted source
Renjith Thomas

Royal Society of Chemistry: London, London, GB

2022-01 to present | Fellow
Membership
Source: Self-asserted source
Renjith Thomas

Indian Chemical Society: Kolkatta, West Bengal, IN

2019-11-15 to present | Fellow
Membership
Source: Self-asserted source
Renjith Thomas

Funding (1)

QM/MM modelling of deexcitation dynamics after photo-excitation in solution of photosensitisers used in photodynamic therapy

2021-07 to 2022-08 | Grant
Royal Society of Chemistry (London, GB)
Source: Self-asserted source
Renjith Thomas

Works (50 of 185)

Items per page:
Page 1 of 4

Computational studies of the metal-free [3+2] cycloaddition reaction of azide with enaminone for the synthesis of 1,2,3-triazoles

New Journal of Chemistry
2025 | Journal article
Contributors: Mohammad Abd Al-Hakim Badawi; Maram Dagher; Abdullah Yahya Abdullah Alzahrani; Ali A. Khairbek; Renjith Thomas
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Comprehensive assessment of schiff base derived from 4-Chloroaniline and 2-Formylphenol: Molecular architecture, experimental with computational bioactivity profiling, emphasizing anticancer efficacy against pulmonary and mammary carcinoma cell models

Journal of Molecular Structure
2025-02 | Journal article
Contributors: K.J. Rajimon; Hamed A. El-Serehy; Neha Kannan; Renjith Thomas
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Crossref

Supramolecular and computational analysis of Fluconazole −2−chloro−5−nitrobenzoic acid cocrystal

Journal of Molecular Structure
2025-02 | Journal article
Contributors: P.J. Srijana; B. Narayana; B.K. Sarojini; Farah Diana Binti Ramzi; Ching Kheng Quah; K J Rajimon; Renjith Thomas
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Silver- and gold-catalyzed azide−alkyne cycloaddition by functionalized NHC-based polynuclear catalysts: Computational investigation and mechanistic insights

Molecular Catalysis
2025-01 | Journal article
Contributors: Ali A Khairbek; Mohammad Abd Al-Hakim Badawi; Abdullah Yahya Abdullah Alzahrani; Rajimon KJ; Renjith Thomas
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Structural, spectroscopic, and biological properties of an asymmetric Cu (II) Schiff-base complex: Synthesis, DNA/BSA interactions, and antimicrobial potential with experimental and computational insights

Polyhedron
2025-01 | Journal article
Contributors: K.J. Rajimon; Rafa Almeer; Pooventhiran Thangaiyan; Renjith Thomas
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Crossref

A study of Ni(ii) catalyzed ethylene oligomerization and dimerization with various N∩N ligands: structure/reactivity/selectivity relationships

New Journal of Chemistry
2024 | Journal article
Contributors: Mohammad Abd Al-Hakim Badawi; Abdullah Yahya Abdullah Alzahrani; Noura Baddour; Maha I. Al-Zaben; Ali A. Khairbek; Renjith Thomas
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Assessing the catalytic potential of novel halogen substituted carbene NHC (F, Cl, Br, I) catalysts in [3 + 2] cycloaddition reactions: A computational investigation

Dalton Transactions
2024 | Journal article
Contributors: Ali A. Khairbek; Mohammad Abd-Al Hakim Badawi; Abdullah Y. Alzahrani; Renjith Thomas
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Crossref

Exploring the dynamics of halogen and hydrogen bonds in halogenated coumarins

Zeitschrift für Physikalische Chemie
2024 | Journal article
Contributors: Varghese, Mebin; Thomas, Jisha Mary; Alzahrani, Abdullah Y.; Thomas, Renjith
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Solid-state Synthesis, electronic Structure Studies, Solvent Interaction through Hydrogen Bonding, and Molecular Docking Studies of 2,2'-((1,2-Phenylenebis(Azaneylylidene))Bis (Methaneylylidene))Diphenol from <i>o</i>-Phenylenediamine and Salicylaldehyde

Polycyclic Aromatic Compounds
2024 | Journal article
Contributors: Elangovan, N.; Ganesan, T. Sankar; Rajeswari, B.; Kanagavalli, A.; Kokilavani, S.; Sowrirajan, S.; Chandrasekar, S.; Thomas, Renjith
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Preferred source (of 2)‎

Solvent effects and Raman enhancement during the adsorption of atrazine on pristine Ag, Au, Cu and mixed clusters

Computational and Theoretical Chemistry
2024 | Journal article
Contributors: Kumar, R. Aneesh; Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Thomas, Renjith; Pillai, Renjith Raveendran
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Surface adsorption of adenine on pristine and B/N/O/P-doped coronene as a biosensing substrate for DNA detection- DFT study

Journal of Molecular Liquids
2024 | Journal article
Contributors: Kumar, R. Aneesh; Al-Otaibi, S. Jamelah; Mary, Y. Sheena; Mary, Y. Shyma; Acharjee, Nivedita; Thomas, Renjith; Pillai, Renjith Raveendran; Leena, T. L.
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Exploring the potential of metal-catalysis with N, N-type ligands in [3+2] cycloaddition reactions of azides and alkynes using theoretical tools

Reaction Kinetics, Mechanisms and Catalysis
2024-12 | Journal article
Contributors: Ali A. Khairbek; Maha I. Al-Zaben; Faheem Abbas; Mohammad Abd Al-Hakim Badawi; Renjith Thomas
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Synthesis, computational, reactivity analysis, non-covalent interaction and docking studies on (N1E,N2E)-N1,N2-bis(2,4-dichlorobenzylidene)-4-methylbenzene-1,2-diamine

Journal of Molecular Structure
2024-12 | Journal article
Contributors: Natarajan Elangovan; T. Sankar Ganesan; A. Vishveshwaran; Natarajan Arumugam; Abdulrahman I. Almansour; S. Chandrasekar; Renjith Thomas
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In Silico Analysis of Curcumin's Targeted Cancer Therapy: Folate Receptor Pathways and Molecular Interaction Insights

Chemistry & Biodiversity
2024-12-16 | Journal article
Contributors: K. J. Rajimon; Rafa Almeer; Pooventhiran Thangaiyan; Ali Khairbek; Renjith Thomas
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Analyzing the physical chemistry of the structural dynamics and stabilizing interactions of citrazinic acid‐ammonium formamide complex

Vietnam Journal of Chemistry
2024-12-13 | Journal article
Contributors: Sneha Anna Sunny; Nathan Hrangkhawl; Devadath Jayakumar; Anijith Babu; N. Fazulunnisa Begum; Renjith Thomas
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Solvation and its influence on the electronic structure and pharmacological activity of 2-fluoro-6-trifluromethyl acetophenone

Journal of Molecular Liquids
2024-11 | Journal article
Contributors: S. Mallika; N. Thirughanasambantham; B. Revathi; V. Balachandran; Natarajan Elangovan; Natarajan Arumugam; Renjith Thomas
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A Comprehensive Journey of a Vanillic Aldehyde-Chloroaniline Schiff Base from Solvent-Free Synthesis to Electronic Structure, In Silico and In Vitro Biological Analysis

Journal of Computational Biophysics and Chemistry
2024-11-06 | Journal article
Contributors: K. J. Rajimon; Hamed A. El-Serehy; Deepthi S. Rajendran Nair; Neha Kannan; A. Jayashree; Renjith Thomas
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Molecular Interactions Between Hexanal Schiff Bases and Boron Nanocages: A DFT Approach

Journal of Computational Biophysics and Chemistry
2024-10 | Journal article
Contributors: P. Surendar; S. K. Jesudoss; C. Raja; K. J. Rajimon; Renjith Thomas; T. Pooventhiran
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Synthesis, spectroscopic, computational, topology, and molecular docking studies on N,N'-(4-methyl-1,3-phenylene)bis(1-(2,4-dichlorophenyl)methanimine)

Molecular Physics
2024-10-29 | Journal article
Contributors: T. Sankar Ganesan; Natarajan Elangovan; P. Ranjith; Natarajan Arumugam; Abdulrahman I. Almansour; S. Chandrasekar; Renjith Thomas
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Assessing the Noncovalent Interaction of Deucravacitinib and Ethanol with Special Reference to an Independent Gradient Model Based on Hirshfeld Partition

The Journal of Physical Chemistry B
2024-10-24 | Journal article
Contributors: Jisha Mary Thomas; Abdullah Y. Alzahrani; Priyadharshini Govindarajan; Renjith Thomas
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Unveiling the therapeutic potential of azopyridine derivatives for trypsin inhibition: a DFT and In-Vitro approach

Molecular Physics
2024-10-16 | Journal article
Contributors: Athira Maria John; Sharanya C. Suresh; Anjana Baby; Saranya Jayaram; Suma Sarojini; Renjith Thomas; Sreeja Puthanveetil Balakrishnan
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Mapping the Interaction Landscape of Adenosine and Minoxidil Sulfate Using an Independent Gradient Model Based on Hirshfeld Partition and Interaction Region Indicator

The Journal of Physical Chemistry B
2024-10-10 | Journal article
Contributors: Sneha Anna Sunny; Ananya Prakash; Rafa Almeer; Renjith Thomas
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Exploring the structure and dynamics of a fluorescent schiff base (1E,1′E)-1,1′-(1,4-phenylene) bis(N-(4-chlorophenyl) methamine: Synthesis, spectroscopic analysis, thermal, electronic and crystallographic study with biological applications

Journal of Molecular Structure
2024-09 | Journal article
Contributors: K.J. Rajimon; Abdullah Y. Alzahrani; Deepthi S. Rajendran Nair; Deeksheetha Prabhu Venkatesh; Renjith Thomas
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Investigation of Huisgen's Noble metal catalyst click reaction mechanism for the synthesis of 1,4-disubstituted 1,2,3-triazoles

Molecular Catalysis
2024-09 | Journal article
Contributors: Ali A Khairbek; Maha I. Al-Zaben; Ralph Puchta; Mohammad Abd Al-Hakim Badawi; Renjith Thomas
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Dynamics of the interaction between water and the amino acids alanine, arginine, asparagine and glutamine using LED, QTAIM, AIMD and core-valence bifurcation (CVB) index

Journal of Molecular Liquids
2024-08 | Journal article
Contributors: Francis Thomas; Renjith Thomas
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Investigation of Molecular Structure, Topological and Molecular Docking Studies of a Novel Anticancer Drug Pacritinib

Polycyclic Aromatic Compounds
2024-08-08 | Journal article
Contributors: N. Elangovan; Abdullah Y. Alzahrani; G. Ajithkumar; Rajimon K. J; Renjith Thomas
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Complexation between inorganic-fullerene B 12 N 12 nanocage cluster and Schiff’s bases of trans -2-hexenal with cytosine and L-leucine

Molecular Physics
2024-07-04 | Journal article
Contributors: P. Surendar; Mohammad K. Al-Sadoon; S. K. Jesudoss; C. Raja; Renjith Thomas; T. Pooventhiran
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An in-depth study of the synthesis, electronic framework, and pharmacological profiling of 1-(anthracen-9-yl)-N-(4-nitrophenyl) methanimine: In vitro and in silico investigations on molecular docking, dynamics simulation, BSA/DNA binding and toxicity studies

Chemical Physics Impact
2024-06 | Journal article
Contributors: K.J. Rajimon; N. Sreelakshmi; Deepthi S. Rajendran Nair; N. Fazulunnisa Begum; Renjith Thomas
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Design, synthesis of new 4,5-dibenzylidene-9,10-diphenyl-1,2,7,8,9,10 hexahydroacridine-3,6-dione derivatives using extract of Vitexnegundo: Cytotoxic activity & molecular docking study

Chemical Physics Impact
2024-06 | Journal article
Contributors: Perumal Gobinath; Ponnusamy Packialakshmi; Govindasamy Thilagavathi; Natarajan Elangovan; Renjith Thomas; Radhakrishnan Surendrakumar
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Exploring non-covalent interactions: A computational study of methyl acetate in chloroform and hexafluoroisopropanol

Chemical Physics Impact
2024-06 | Journal article
Contributors: Sneha Anna Sunny; Tomlal Jose E; Renjith Thomas
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Integrated experimental and computational study of a fluorescent Schiff base: Synthesis, characterization, electronic structure properties, and biological potentials of (1E,1’E)-1,1’-(1,4-phenylene) bis(N-(2-chlorophenyl) methanimine) with a focus on molecular docking and dynamics simulation

Chemical Physics Impact
2024-06 | Journal article
Contributors: K.J. Rajimon; Deepthi S.Rajendran Nair; Dharini Srinivasaragavan; Renjith Thomas
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Understanding the behavior of a potential anticancer lamotrigine in explicit solvent (water and DMSO) using quantum mechanical tools and abinitio molecular dynamics

Chemical Physics Impact
2024-06 | Journal article
Contributors: Elham S. Aazam; Renjith Thomas
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Understanding the hydrogen bonding preferences and dynamics of prontosil in water and methanol

Chemical Physics Impact
2024-06 | Journal article
Contributors: Gayathri Ashok; Francis Thomas; Renjith Thomas
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Computational studies on CuAAC reaction mechanism with [CuX(PPh3)]; X = I, Br, Cl for the synthesis of 4- and 5-halo-1,2,3-triazoles

Reaction Kinetics, Mechanisms and Catalysis
2024-04 | Journal article
Contributors: Ali A. Khairbek; Abdullah Y. Alzahrani; Mohammad Abd Al-Hakim Badawi; Renjith Thomas
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Unveiling the multifaceted potential of (E)-N-(4-Chlorophenyl)-1-(thiophen-2-yl) methanimine with special reference to solution-state fluorescence, synthesis, electronic structure, antimicrobial, antibiofilm, larvicidal activities, toxicity, docking and dynamics

Journal of Molecular Structure
2024-04 | Journal article
Contributors: K.J. Rajimon; Abdullah Y. Alzahrani; Elham S Aazam; Bayan M. Abbas; Priyadharshini Govindarajan; Renjith Thomas
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Fluorescent Azomethine by the Condensation of Sulfadiazine and 4-Chlorobenzaldehyde in Solution: Synthesis, Characterization, Solvent Interactions, Electronic Structure, and Biological Activity Prediction

Polycyclic Aromatic Compounds
2024-04-20 | Journal article
Contributors: N. Elangovan; S. Sowrirajan; Abdullah Yahya Abdullah Alzahrani; Deepthi S. Rajendran Nair; Renjith Thomas
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Crossref

DFT Studies on Mechanism of Organocatalytic Metal-Free Click 32CA Reaction for Synthesis of NH-1,2,3-triazoles

Catalysis Letters
2024-03 | Journal article
Contributors: Mohammad Abd Al-Hakim Badawi; Maha I. Al-Zaben; Renjith Thomas
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Proton affinity Revisited: Benchmarking computational approaches for accurate predictions

Computational and Theoretical Chemistry
2024-03 | Journal article
Contributors: Manjesh Mathew; Ralph Puchta; Renjith Thomas
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Synthesis, Quantum Mechanical Studies, Physicochemical Properties and Molecular Docking Studies of Schiff Base N-N-(1,2-Phenylene)Bis(1-(4-Bromophenyl)Methanimine) from o - Phenylenediamine and 4-Bromobenzaldehyde

Polycyclic Aromatic Compounds
2024-03-15 | Journal article
Contributors: T. Sankar Ganesan; N. Elangovan; A. Sirajunnisa; T. Angel; S. Sowrirajan; S. Chandrasekar; Deepthi S. Rajendran Nair; Renjith Thomas
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Synthesis, characterization, and electronic structure of bioactive vanillin based fluorescent Schiff bases

Journal of Molecular Liquids
2024-02 | Journal article
Contributors: Elham S Aazam; Renjith Thomas
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Solution stage fluorescence and anticancer properties of azomethine compounds from sulpha drugs: Synthesis, experimental and theoretical insights

Journal of Molecular Structure
2024-01 | Journal article
Contributors: Elham S Aazam; Renjith Thomas
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Cluster formation between an oxadiazole derivative with metal nanoclusters (Ag/Au/Cu), graphene quantum dot sheets, SERS studies, and solvent effects

Structural Chemistry
2023 | Journal article
Contributors: S.Al-Otaibi, Jamelah; Mary, Y. Sheena; Mary, Y. Shyma; Trivedi, Ravi; Chakrabory, Brahmananda; Thomas, Renjith
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Computational studies of the CuAAC reaction mechanism with diimine and phosphorus ligands for the synthesis of 1,4-disubstituted 1,2,3-triazoles

New Journal of Chemistry
2023 | Journal article
Contributors: Mohammad Abd Al-Hakim Badawi; Ali A. Khairbek; Renjith Thomas
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DFT Investigations on the Interactions Between Pyrimidine Derivatives and Ag/Au/Cu Metal Clusters: Solvation Effects and Reactivity Analysis

Journal of Cluster Science
2023 | Journal article
Contributors: Al-Otaibi, Jamelah S. S.; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith; Costa, Renyer Alves
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Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions

Journal of Molecular Modeling
2023 | Journal article
Contributors: Al-Otaibi, Jamelah S. S.; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith
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Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions (vol 29, 246, 2023)

Journal of Molecular Modeling
2023 | Journal article
Contributors: Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Thomas, Renjith
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Exploring non-covalent interactions between caffeine and ascorbic acid: their significance in the physical chemistry of drug efficacy

Zeitschrift für Physikalische Chemie
2023 | Journal article
Contributors: Abraham, Alen Binu; Alzahrani, Abdullah Y.; Thomas, Renjith
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Organic Quasi-Liquid Schiff Bases from Biomolecules: Synthesis, Structure and Quantum Mechanical Studies

Biointerface Research in Applied Chemistry
2023 | Journal article
Contributors: Surendar, Periyasamy; Pooventhiran, Thangaiyan; Rajam, Shameela; Rao, Dasari Jagadeeswara; Manigandan, Nagulan; Irfan, Ahmad; Thomas, Renjith
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Quantum mechanical investigation of the mechanism of Ni(0)-catalyzed cycloaddition reaction of 2-cyclobutanone with alkyne

Zeitschrift für Physikalische Chemie
2023 | Journal article
Contributors: Badawi, Mohammad Abd Al-Hakim; Al-Zaben, Maha I.; Sotal, Ahmad; Alzahrani, Abdullah Y.; Khairbek, Ali; Thomas, Renjith
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Schiff bases from chlorine substituted anilines and salicylaldehyde: Synthesis, characterization, fluorescence, thermal features, biological studies and electronic structure investigations

Journal of Molecular Liquids
2023 | Journal article
Contributors: Rajimon, K. J.; Elangovan, N.; Khairbek, Ali Amir; Thomas, Renjith
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Peer review (448 reviews for 81 publications/grants)

Review activity for ACS applied bio materials. (1)
Review activity for ACS applied energy materials. (2)
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