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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Feb-2023Holo2cis_EET_14Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.3748773; Eh
thumbnail.jpeg1-Feb-2023Holo2cis_EET_13Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.3672964; Eh
thumbnail.jpeg1-Feb-2023Holo2transB_EET_1Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.3551906; Eh
thumbnail.jpeg1-Feb-2023Holo2cis_EET_16Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.366007; Eh
thumbnail.jpeg1-Feb-2023Holo2transB_EET_15Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.3645093; Eh
thumbnail.jpeg1-Feb-2023Holo2transA_EET_1Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.3699629; Eh
thumbnail.jpeg1-Feb-2023Holo2transB_EET_14Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.3625913; Eh
thumbnail.jpeg1-Feb-2023Holo2transA_EET_2Curti, MarianoGaussian; 16; ES64L-G16RevB.01Excitation energy transferRCAM-B3LYP; TD-FC6-31G(D)-4315.3750894; Eh
thumbnail.jpeg1-Feb-2023Holo2cis_1Curti, MarianoAmber; 18Molecular Dynamics---173.21369690304; Eh
thumbnail.jpeg1-Feb-2023Holo2cis_2Curti, MarianoAmber; 18Molecular Dynamics---173.20290902784; Eh
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