https://iochem-bd.bsc.es/browse/handle/100/308166 Vanillin_benchmark Tue, 07 Apr 2026 19:52:27 GMT 2026-04-07T19:52:27Z https://iochem-bd.bsc.es/browse/handle/100/479327 Title: /Vibrational_frequencies Umbelliferone_(raman,_internal)_PBE0_6-311++G(2d,2p)_-_No_solvat Authors: Nicolaou, Michael Abstract: Bond vibrational frequency (IR, Raman) and normal mode analysis calculation of optimised umbelliferone structure using PBE0/6-311++G(2d,2p), no solvation. Thu, 09 Oct 2025 21:48:01 GMT https://iochem-bd.bsc.es/browse/handle/100/479327 2025-10-09T21:48:01Z https://iochem-bd.bsc.es/browse/handle/100/479326 Title: /Vibrational_frequencies Dihydrocoumarin_(raman,_internal)_PBE0_6-311++G(2d,2p)_-_No_solv Authors: Nicolaou, Michael Abstract: Bond vibrational frequency (IR, Raman) and normal mode analysis calculation of optimised dihydrocoumarin structure using PBE0/6-311++G(2d,2p), no solvation. Thu, 09 Oct 2025 21:48:02 GMT https://iochem-bd.bsc.es/browse/handle/100/479326 2025-10-09T21:48:02Z https://iochem-bd.bsc.es/browse/handle/100/479325 Title: /Vibrational_frequencies Coumarin_(raman,_internal)_PBE0_6-311++G(2d,2p)_-_No_solvation Authors: Nicolaou, Michael Abstract: Bond vibrational frequency (IR, Raman) and normal mode analysis calculation of optimised coumarin structure using PBE0/6-311++G(2d,2p), no solvation. Thu, 09 Oct 2025 21:48:02 GMT https://iochem-bd.bsc.es/browse/handle/100/479325 2025-10-09T21:48:02Z https://iochem-bd.bsc.es/browse/handle/100/479324 Title: /Vibrational_frequencies Estragole_(raman,_internal)_PBE0_6-311++G(2d,2p)_-_No_solvation Authors: Nicolaou, Michael Abstract: Bond vibrational frequency (IR, Raman) and normal mode analysis calculation of optimised estragole structure using PBE0/6-311++G(2d,2p), no solvation. Thu, 09 Oct 2025 21:48:02 GMT https://iochem-bd.bsc.es/browse/handle/100/479324 2025-10-09T21:48:02Z