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1by Pye, Cory Christopher, 1971-Subjects: “...Quantum chemistry...”
Published 1997
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2by Rohit GoswamiSubjects: “...quantum chemistry...”
Published 2022
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3by Neese, F., Wennmohs, F., Becker, U., Riplinger, C.Get access
Published in The Journal of Chemical Physics (2020)
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4by Neese, Frank, Wennmohs, Frank, Becker, Ute, Riplinger, ChristophGet access
Published in The Journal of Chemical Physics (2020)
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6by Sarkar, Arkadeep, Sessa, Lucia, Marrafino, Francesco, Piotto, Stefano“... called GUIDE, a YASARA plugin to assist researchers in quantum chemistry workflow automation using ORCA...”
Published in Journal of Computational Chemistry (2023)
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7by Sarkar, Arkadeep, Sessa, Lucia, Marrafino, Francesco, Piotto, Stefano“... an easy‐to‐use tool called GUIDE, a YASARA plugin to assist researchers in quantum chemistry workflow...”
Published in Journal of Computational Chemistry (2023)
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8by María J. Álvarez, Luis Miguel Díaz Sánchez, Marianny Yajaira Combariza Montañez, Cristian Blanco Tirado, Aldo Fabrizzio Combariza Montañez“... of matrix and analyte structures, followed by geometry optimization, using the quantum chemistry software...”
Published 2022
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13by Mehta, Kshitij, Lupo Pasini, Massimiliano, Irle, Stephan, Yoo, Pilsun, Ganyushin, DmitrySubjects: “...TDDFT, GDB-9-Ex, quantum chemistry, AI dataset...”
Published 2024
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