المؤلفون: Chiara Cappelli, Filippo Lipparini, Franco Egidi, Vincenzo Barone

المساهمون: Lipparini, F., Egidi, F., Cappelli, Chiara, Barone, Vincenzo

المصدر: Journal of chemical theory and computation. 9(4)

مصطلحات موضوعية: Aqueous solution, Computer science, Absolute value, computer.software_genre, Computer Science Applications, Wavelength, Intramolecular force, Data mining, Physical and Theoretical Chemistry, Solvent effects, Optical rotation, Atomic physics, computer, Sign (mathematics)

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6c58bef85006c64bd4c3be4ef11d7e1Test
https://pubmed.ncbi.nlm.nih.gov/26583540Test

المؤلفون: Filippo Lipparini, Vincenzo Barone, Chiara Cappelli, Julien Bloino

المساهمون: Cappelli, Chiara, Bloino, J., Lipparini, F., Barone, Vincenzo

المصدر: The journal of physical chemistry letters 3 (2012): 1766–1773. doi:10.1021/jz3006139
info:cnr-pdr/source/autori:Cappelli, Chiara; Bloino, Julien; Lipparini, Filippo; Barone, Vincenzo/titolo:Toward Ab Initio Anharmonic Vibrational Circular Dichroism Spectra in the Condensed Phase/doi:10.1021%2Fjz3006139/rivista:The journal of physical chemistry letters/anno:2012/pagina_da:1766/pagina_a:1773/intervallo_pagine:1766–1773/volume:3

مصطلحات موضوعية: vibrational optical activity, Chemistry, Anharmonicity, Phase (waves), Ab initio, solvent effects, Polarizable continuum model, Spectral line, chiroptical spectroscopy, Vibrational circular dichroism, polarizable continuum model, General Materials Science, Physical and Theoretical Chemistry, Perturbation theory, Solvent effects, Atomic physics, Physics::Chemical Physics

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d4965dd3b2247864263cb16b81b646baTest
https://pubmed.ncbi.nlm.nih.gov/26291857Test

المؤلفون: Vincenzo Barone, Chiara Cappelli, Filippo Lipparini, Julien Bloino

المساهمون: Cappelli, Chiara, Lipparini, F, Bloino, J, Barone, Vincenzo

مصطلحات موضوعية: Field (physics), Chemistry, Quantum mechanics, Anharmonicity, Physics::Atomic and Molecular Clusters, General Physics and Astronomy, Non-equilibrium thermodynamics, Infrared spectroscopy, Physical and Theoretical Chemistry, Atomic physics, Physics::Chemical Physics, Reaction field, Polarizable continuum model

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::228d6fa38823600e74e6cf482325acb5Test
https://hdl.handle.net/11384/59369Test