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Development of computational chemistry-based learning media on the subject of isomers of organic chemical reaction course
Wildayani, Hiranda, Nugraha, Asep Wahyu, Nurfajriani
Published in AIP conference proceedings (11.01.2023)
Published in AIP conference proceedings (11.01.2023)
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Stacking geometry between two sheared Watson-Crick basepairs: Computational chemistry and bioinformatics based prediction
Maiti, Satyabrata, Mukherjee, Debasish, Roy, Parthajit, Chakrabarti, Jaydeb, Bhattacharyya, Dhananjay
Published in Biochimica et biophysica acta. General subjects (01.07.2020)
Published in Biochimica et biophysica acta. General subjects (01.07.2020)
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Computational Chemistry Data Management Platform Based on the Semantic Web
Wang, Bing, Dobosh, Paul A, Chalk, Stuart, Sopek, Mirek, Ostlund, Neil S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.01.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.01.2017)
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Revolution of Artificial Intelligence in Computational Chemistry Breakthroughs
Anjaneyulu, Bendi, Goswami, Sanchita, Banik, Prithu, Chauhan, Vishaka, Raghav, Neera, Chinmay
Published in Chemistry Africa (01.08.2024)
Published in Chemistry Africa (01.08.2024)
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Generating Multibillion Chemical Space of Readily Accessible Screening Compounds
Grygorenko, Oleksandr O., Radchenko, Dmytro S., Dziuba, Igor, Chuprina, Alexander, Gubina, Kateryna E., Moroz, Yurii S.
Published in iScience (20.11.2020)
Published in iScience (20.11.2020)
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New insights on conservation of marble artworks from computational chemistry
Papasergio, Antonia E., Ugolotti, Greta, Lessio, Martina, Sassoni, Enrico
Published in Materials today : proceedings (01.07.2023)
Published in Materials today : proceedings (01.07.2023)
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THE INTEGRATION OF COMPUTATIONAL CHEMISTRY TO SUPPORT INTERACTIVE LEARNING MEDIA FOR SENIOR HIGHSCHOOL: AN INNOVATIVE STRATEGY TO IMPLEMENT ‘KURIKULUM MERDEKA’
Haq, Kautsar Ul, Kristanti, Alfinda Novi, Suwito, Hery, Aminah, Nanik Siti, Rusdipoetra, R. Aryabraga, Alfian, Fariz Rizky, Asyura, Syarifah
Published in Jurnal Layanan Masyarakat (Journal of Public Services) (08.12.2024)
Published in Jurnal Layanan Masyarakat (Journal of Public Services) (08.12.2024)
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The Effect of Computational-Based Learning Media Using the STAD Type Cooperative Model on Student Learning Outcomes and Motivation on the Subject of Intermolecular Forces
Nababan, Tiur Maida Br, Pratiwi, Ledy, Nugraha, Asep Wahyu
Published in International Journal of Research in STEM Education (Online) (31.08.2023)
Published in International Journal of Research in STEM Education (Online) (31.08.2023)
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Chemical dynamics in a radioactive platinum -cerium oxide-water mixture within a vibrating Riga channel subject to sudden pressure gradient onset
Das, Sanatan, Karmakar, Poly, Pal, Tilak Kumar, Sarkar, Soumitra, Ali, Asgar, Jana, Rabindra Nath
Published in Journal of mathematical chemistry (01.08.2024)
Published in Journal of mathematical chemistry (01.08.2024)
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Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model
Gil, Gabriel, Pipolo, Silvio, Delgado, Alain, Rozzi, Carlo Andrea, Corni, Stefano
Published in Journal of chemical theory and computation (09.04.2019)
Published in Journal of chemical theory and computation (09.04.2019)
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Aquilante, Francesco, Autschbach, Jochen, Carlson, Rebecca K., Chibotaru, Liviu F., Delcey, Mickaël G., De Vico, Luca, Fdez. Galván, Ignacio, Ferré, Nicolas, Frutos, Luis Manuel, Gagliardi, Laura, Garavelli, Marco, Giussani, Angelo, Hoyer, Chad E., Li Manni, Giovanni, Lischka, Hans, Ma, Dongxia, Malmqvist, Per Åke, Müller, Thomas, Nenov, Artur, Olivucci, Massimo, Pedersen, Thomas Bondo, Peng, Daoling, Plasser, Felix, Pritchard, Ben, Reiher, Markus, Rivalta, Ivan, Schapiro, Igor, Segarra-Martí, Javier, Stenrup, Michael, Truhlar, Donald G., Ungur, Liviu, Valentini, Alessio, Vancoillie, Steven, Veryazov, Valera, Vysotskiy, Victor P., Weingart, Oliver, Zapata, Felipe, Lindh, Roland
Published in Journal of computational chemistry (15.02.2016)
Published in Journal of computational chemistry (15.02.2016)
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