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Published in Molecular physics (01.02.2023)
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MOlecular MAterials Property Prediction Package (MOMAP) 1.0: a software package for predicting the luminescent properties and mobility of organic functional materials
Niu, Yingli, Li, Wenqiang, Peng, Qian, Geng, Hua, Yi, Yuanping, Wang, Linjun, Nan, Guangjun, Wang, Dong, Shuai, Zhigang
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A theoretical study on sensing properties of in-doped ZnO nanosheet toward acetylene
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Published in Molecular physics (04.03.2022)
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Lemeshko, Mikhail, Krems, Roman V., Doyle, John M., Kais, Sabre
Published in Molecular physics (01.07.2013)
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Phase separation and thermodynamics of the mixture of metformin hydrochloride + triton X-100 in ammonium salts media: impacts of composition of media
Hasan, Tajmul, Mahbub, Shamim, Kumar, Dileep, Gatasheh, Mansour K., R. Joy, Md. Tuhinur, Goni, Md. Abdul, Rana, Shahed, Hoque, Md. Anamul
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Published in Molecular physics (02.11.2022)
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Isotope effects in liquid water via deep potential molecular dynamics
Ko, Hsin-Yu, Zhang, Linfeng, Santra, Biswajit, Wang, Han, E, Weinan, DiStasio Jr, Robert A., Car, Roberto
Published in Molecular physics (17.11.2019)
Published in Molecular physics (17.11.2019)
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Simulation of electronic structure Hamiltonians using quantum computers
Whitfield, James D., Biamonte, Jacob, Aspuru-Guzik, Alán
Published in Molecular physics (10.03.2011)
Published in Molecular physics (10.03.2011)
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Influences of short-chain alcohols, urea and temperature on aggregation behaviour of tetradecyltrimethylammonium bromide and antidiabetic drug mixture
Akter, Roksanur, Anis-Ul-Haque, K. M., Mottalib, Md. Abdul, Kumar, Dileep, Joy, Md. Tuhinur R., Rana, Shahed, Hoque, Md. Anamul, Almutairi, Tahani Mazyad, Mohammed, Abdallah A. A., Iqbal, Amjad
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Published in Molecular physics (02.01.2023)
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Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach
Hassan, Abrar U., Sumrra, Sajjad H., Zafar, Wardha, Imran, Muhammad, Noreen, Sadaf, Irfan, Muhammad
Published in Molecular physics (02.01.2023)
Published in Molecular physics (02.01.2023)
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Collective variables for the study of crystallisation
Karmakar, Tarak, Invernizzi, Michele, Rizzi, Valerio, Parrinello, Michele
Published in Molecular physics (18.10.2021)
Published in Molecular physics (18.10.2021)
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