1. Institute of Chemical Research of Catalonia

Browsing by Subject Energy transfer

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Showing results 1 to 20 of 27  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2024Ir-ASolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ GEN-1634.11429638; Eh
thumbnail.jpeg2-May-2024Ir-A-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ GEN-1634.02832890; Eh
thumbnail.jpeg2-May-2024Ir-BSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ GEN-1541.34146568; Eh
thumbnail.jpeg2-May-2024Ir-B-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ GEN-1541.24801913; Eh
thumbnail.jpeg2-May-2024Ir-CSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ GEN-1839.07654147; Eh
thumbnail.jpeg2-May-2024Ir-C-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ GEN-1838.97193105; Eh
thumbnail.jpeg2-May-2024Ir-DSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ GEN-2136.80196629; Eh
thumbnail.jpeg2-May-2024Ir-D-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ GEN-2136.70133945; Eh
thumbnail.jpeg2-May-2024Ir-ESolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ GEN-1669.47528135; Eh
thumbnail.jpeg2-May-2024Ir-E-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ GEN-1669.37212465; Eh
thumbnail.jpeg2-May-2024RuSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ GEN-1808.95291526; Eh
thumbnail.jpeg2-May-2024Ru-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ GEN-1808.86728397; Eh
thumbnail.jpeg2-May-2024subs1-ESolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization StructureRB3LYPGEN-795.904840383; Eh
thumbnail.jpeg2-May-2024subs1-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPGEN-795.819291554; Eh
thumbnail.jpeg2-May-2024subs1-ZSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPGEN-795.901524355; Eh
thumbnail.jpeg2-May-2024subs2-ESolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPGEN-616.251467784; Eh
thumbnail.jpeg2-May-2024subs2-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPGEN-616.171917380; Eh
thumbnail.jpeg2-May-2024subs2-ZSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPGEN-616.247523183; Eh
thumbnail.jpeg2-May-2024subs3-ESolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYPGEN-759.771154703; Eh
thumbnail.jpeg2-May-2024subs3-tripletSolé Daura, AlbertGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumUB3LYPGEN-759.691686753; Eh
Showing results 1 to 20 of 27  next >