Journal of the American Chemical Society

Leveraging Quantum Chemistry and Machine Learning for the Design of Low-Valent Transition Metal Catalysts in Nitrogen to Ammonia Conversion

C Chandrasekhar Nettem (Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India) A Ankit Mondal (New Chemistry Unit, International Centre for Materials Science and School of Advanced Materials, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India) G Gopalan Rajaraman (Department of Chemistry)
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Article Details

Volume / Issue Vol. 147, Issue 20
Published May 21, 2025
Pages 16948-16963
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society
ISSN: 0002-7863 Physical Sciences

Authors (3)

C

Chandrasekhar Nettem

Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India

A

Ankit Mondal

New Chemistry Unit, International Centre for Materials Science and School of Advanced Materials, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India

G

Gopalan Rajaraman

Department of Chemistry

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