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Understanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energy
Agarwal, Sheena
;
Mehta, Shweta
;
Joshi, Kavita
(
Royal Society of Chemistry
,
2023-01-02
)
Copolymers of bipyridinium and metal (Zn & Ni) porphyrin derivatives; theoretical insights and electrochemical activity towards CO2
Kochreka, Sachin
;
Kalekar, Ajit
;
Mehta, Shweta
;
Damlin, Pia
;
Salomaki, Mikko
;
Granroth, Sari
;
Meltola, Niko
;
Joshi, Kavita
;
Kvarnstrom, Carita
(
Royal Society of Chemistry
,
2023-01-02
)
From molecular adsorption to decomposition of methanol on various ZnO facets: a periodic DFT study
Mehta, Shweta
;
Joshi, Kavita
(
Elsevier
,
2023-01-02
)
Mixed metal oxide: A new class of catalyst for methanol activation
Mehta, Shweta
;
Agarwal, Sheena
;
Kenge, Nivedita
;
Mekala, Siva Prasad
;
Patil, Vipul
;
Raja, T.
;
Joshi, Kavita
(
Elsevier
,
2023-01-02
)
From digital blueprint to chemical reality: methanol to formaldehyde at ambient conditions
Mehta, Shweta
;
Kasabe, Mirabai
;
Umbarkar, Shubhangi
;
Joshi, Kavita
(
2024
)
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Author
Joshi, Kavita (5)
Mehta, Shweta (5)
Agarwal, Sheena (2)
Damlin, Pia (1)
Granroth, Sari (1)
Kalekar, Ajit (1)
Kasabe, Mirabai (1)
Kenge, Nivedita (1)
Kochreka, Sachin (1)
Kvarnstrom, Carita (1)
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Subject
Density Functional Theory (2)
Methanol (2)
Artificial Intelligence (1)
Electrochemical (1)
Electropolymerization (1)
Metal Clusters (1)
Quantum Chemistry (1)
Raman Spectroscopy (1)
ZnAl2O4 (1)
ZnO facets (1)
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Date Issued
2023 (4)
2024 (1)
Has File(s)
Yes (5)