화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms
Dandu N, Ward L, Assary RS, Redfern PC, Narayanan B, Foster IT, Curtiss LA
Journal of Physical Chemistry A, 124(28), 5804, 2020
2 Passivating Nucleobases Bring Charge Transfer Character to Optically Active Transitions in Small Silver Nanoclusters
Jabed MA, Dandu N, Tretiak S, Kilina S
Journal of Physical Chemistry A, 124(43), 8931, 2020
3 Mechanism of Charged, Neutral, Mono-, and Polyatomic Donor Ligand Coordination to Perchlorinated Cyclohexasilane (Si6Cl12)
Pokhodnya K, Anderson K, Kilina S, Dandu N, Boudjouk P
Journal of Physical Chemistry A, 122(16), 4067, 2018