Browsing by Subject Melanine

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1 to 20 of 780  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_12_17_1_x01-x01Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6049922; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_12_34_1_x01-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6481203; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_12_34_1_x01-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6233506; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_12_43_1_x01-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6405389; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_17_1_x01-x01Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6404598; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_23_1_x01-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6481262; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_32_1_x01-001Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6552471; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_32_1_x01-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6295273; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_34_1_x01-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6945133; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_34_1_x01-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6775739; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_43_1_x01-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6959458; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_34_1_001-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6521986; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_34_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.651679; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_34_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6201177; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_43_1_001-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6632542; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_43_1_001-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6312731; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_43_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6349913; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_23_43_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6408833; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_34_34_1_010-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.7116221; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_34_34_1_100-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6963022; Eh