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Date Name Thumbnail Size Description Versions
20:07, 30 January 2014 ECJ al2cl4br2 vib7.jpg (file) 13 KB Vibrational mode 7. 1
20:04, 30 January 2014 ECJ al2cl4br2 vib6.jpg (file) 12 KB Vibrational mode 6. 1
19:52, 30 January 2014 ECJ al2cl4br2 vib5.jpg (file) 15 KB Vibrational mode 5 1
19:40, 30 January 2014 ECJ al2cl4br2 vib4.jpg (file) 14 KB Vibrational mode 4. 1
19:31, 30 January 2014 ECJ al2cl4br2 vib3.jpg (file) 13 KB Vibrational mode 3. 1
19:27, 30 January 2014 ECJ al2cl4br2 vib2.jpg (file) 13 KB Vibrational mode 2. 1
19:18, 30 January 2014 ECJ al2cl4br2 vib1.jpg (file) 15 KB Vibrational mode 1 1
13:06, 30 January 2014 ECJ isomer3c2v ir.jpg (file) 97 KB The IR spectrum of isomer 3 of Al2Cl4Br2 in the C2v point group. 1
18:40, 29 January 2014 ECJ AL2CL4BR2 ISOMER3FREQ.LOG (file) 57 KB The .log file for the frequency analysis of Al2ClBr2 isomer 3. 1
18:36, 29 January 2014 ECJ AL2CL4BR2 ISOMER3.LOG (file) 196 KB .log file for the optimisation of Al2Cl4Br2 isomer 3. 1
16:44, 29 January 2014 ECJ bh3 estretch2.jpg (file) 7 KB One of the E' stretches of BH3. 1
16:42, 29 January 2014 ECJ bh3 estretch1.jpg (file) 7 KB One of the E' stretches of BH3. 1
16:38, 29 January 2014 ECJ bh3 a1stretch.jpg (file) 7 KB The A1' stretch of BH3 1
16:34, 29 January 2014 ECJ bh3 ebend2.jpg (file) 10 KB One of the E' bends of BH3. 1
16:32, 29 January 2014 ECJ bh3 ebend1.jpg (file) 8 KB One of the E' bends of BH3. 1
16:26, 29 January 2014 ECJ bh3 a2bend.jpg (file) 12 KB The A2'' bending mode of BH3. 1
16:23, 29 January 2014 ECJ gabr3bend.jpg (file) 7 KB The A2'' bending mode of GaBr3. 1
19:09, 28 January 2014 ECJ isomer4 ir.jpg (file) 101 KB The IR spectrum of the 4th isomer of Al2Cl4Br2. 1
18:17, 28 January 2014 ECJ al2cl4br2 isomer4.jpg (file) 12 KB The 4th isomer of Al2Cl4Br2. 1
17:34, 28 January 2014 ECJ isomer3 ir.jpg (file) 103 KB The IR spectrum of the third isomer of Al2Cl4Br2. 1
15:00, 28 January 2014 ECJ al2cl4br2 isomer3.jpg (file) 10 KB The 3rd isomer of Al2Cl4Br2. 1
14:50, 28 January 2014 ECJ isomer2 ir.jpg (file) 110 KB The IR spectrum of the 2nd isomer of Al2Cl4Br2. 1
11:27, 28 January 2014 ECJ al2cl4br2 isomer2.jpg (file) 8 KB The 2nd isomer of Al2Cl4Br2. 1
18:54, 27 January 2014 ECJ al2cl4br2 isomer1.jpg (file) 9 KB The 1st isomer of Al2Cl4Br2. 1
18:51, 27 January 2014 ECJ isomer1 ir.jpg (file) 100 KB IR spectrum of the 1st Al2Cl4Br2 isomer. 1
16:26, 27 January 2014 ECJ Al2cl4br2.jpg (file) 20 KB The four isomers of Al2Cl4Br2. 1
15:06, 27 January 2014 ECJ bh3 mos2.jpg (file) 67 KB MO diagram of BH3 with Gaussian MOs. 1
19:11, 24 January 2014 Ecj bh3mo4.jpg (file) 8 KB   1
19:11, 24 January 2014 Ecj bh3mo3.jpg (file) 8 KB   1
19:07, 24 January 2014 Ecj bh3mo2.jpg (file) 6 KB   1
19:05, 24 January 2014 Ecj bh3mo5.jpg (file) 6 KB   1
19:00, 24 January 2014 Ecj bbr3.jpg (file) 8 KB An optimised molecule of BBr3. 1
18:56, 24 January 2014 Ecj ammoniaborane.jpg (file) 10 KB An optimised molecule of ammonia-borane. 1
18:53, 24 January 2014 Ecj nh3.jpg (file) 9 KB An optimised molecule of NH3. 1
18:50, 24 January 2014 Ecj gabr3.jpg (file) 7 KB An optimised molecule of GaBr3 1
18:46, 24 January 2014 Ecj bh3.jpg (file) 9 KB A molecule of BH3. 1
18:33, 24 January 2014 ECJ NH3BH3 FREQ.LOG (file) 107 KB .log file for the frequency analysis of ammonia-borane. 1
18:29, 24 January 2014 ECJ NH3BH3 OPT.LOG (file) 81 KB .log file for the optimisation of ammonia-borane. 1
15:23, 24 January 2014 ECJ nh3charge.jpg (file) 15 KB The charge distribution of the NH3 molecule. 1
15:16, 24 January 2014 ECJ NH3 NBOS.LOG (file) 59 KB .log file for NBO analysis of NH3. 1
14:33, 24 January 2014 ECJ NH3 FREQ.LOG (file) 26 KB .log file for NH3 frequency analysis that produced low low frequencies. 1
14:30, 24 January 2014 ECJ NH3 OPT RERUN.LOG (file) 21 KB .log file from rerun optimisation, which produced much lower low frequencies. 1
14:21, 24 January 2014 ECJ bh3mo1.jpg (file) 6 KB The MO representing energy level 1 of BH3. 1
13:55, 24 January 2014 Ecj bh3 mo diagram.jpg (file) 46 KB The MO diagram of BH3, drawn in ChemDraw. 1
13:06, 24 January 2014 ECJ NH3 OPT.LOG (file) 48 KB .log file for NH3 optimisation. 1
17:28, 23 January 2014 ECJ gabr3 ir.jpg (file) 92 KB The IR spectrum of GaBr3 as calculated by Gaussian. 1
15:51, 23 January 2014 ECJ bh3 ir.png (file) 21 KB The IR spectrum of BH<sub>3</sub>, as calculated by Gaussian. 1
14:37, 23 January 2014 ECJ BH3 FREQ.LOG (file) 26 KB   1
16:50, 20 January 2014 ECJ BH3 OPT 631G.LOG (file) 31 KB   1
15:13, 20 January 2014 ECJ BH3 OPT.LOG (file) 69 KB   1
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