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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| 01-acroleina.g03 | 2005-04-18 14:00 | 86K | |
| 01-acroleina.inp | 2005-04-15 13:26 | 536 | |
| 01-acroleina.pdf | 2009-12-11 11:46 | 71K | |
| 01-acroleina.zip | 2009-12-01 22:04 | 71K | |
| 2,4 butanal/ | 2017-06-12 14:04 | - | |
| ACRO-DFT.INP | 2003-09-10 21:00 | 477 | |
| ACRO-HF.INP | 2003-09-11 10:50 | 474 | |
| ACRO-HF.out | 2003-09-11 06:34 | 77K | |
| ACRO-O.MOP | 2003-09-10 20:54 | 573 | |
| ACRO-o.inp | 2003-09-10 20:47 | 465 | |
| ACRO.out | 2003-09-10 20:44 | 62K | |
| Draw_1.pdf | 2014-09-13 13:37 | 5.9K | |
| FCIS-HJ.opt | 2014-04-03 16:13 | 32 | |
| NCCH3/ | 2017-06-12 14:04 | - | |
| UV-ref.txt | 2006-04-22 14:30 | 37 | |
| acro-431pdMP2-1.ndo | 2014-04-28 03:29 | 104K | |
| acro-431pdMP2-2.com | 2015-12-17 15:20 | 648 | |
| acro-431pdMP2-2.log | 2015-12-17 15:23 | 101K | |
| acro-431pdMP2-3.com | 2015-12-27 09:40 | 648 | |
| acro-431pdMP2-3.log | 2015-12-27 09:42 | 101K | |
| acro-431pdMP2-4.com | 2015-12-23 23:33 | 648 | |
| acro-431pdMP2-4.log | 2015-12-23 23:35 | 101K | |
| acro-431pdMP2-11.ndo | 2008-11-10 18:42 | 74K | |
| acro-431pdMP2-12.ndo | 2008-11-10 18:43 | 83K | |
| acro-431pdMP2-12w.ndo | 2008-11-10 20:01 | 83K | |
| acro-431pdMP2-21.NDO | 2008-11-10 18:43 | 111K | |
| acro-431pdMP2-21h.ndo | 2009-12-01 22:03 | 115K | |
| acro-431pdMP2-21old.ndo | 2008-08-06 23:38 | 121K | |
| acro-431pdMP2-22.ndo | 2008-11-10 18:43 | 83K | |
| acro-431pdMP2-22w.ndo | 2008-11-10 20:02 | 94K | |
| acro-431pdMP2-FCIS-H..> | 2014-04-03 16:15 | 106K | |
| acro-431pdMP2-fullCI..> | 2008-03-10 13:57 | 101K | |
| acro-431pdMP2.OHM | 2008-03-10 14:03 | 73K | |
| acro-431pdMP2.car | 2009-12-01 22:03 | 361 | |
| acro-431pdMP2.cn2 | 2007-01-16 10:29 | 58K | |
| acro-431pdMP2.com | 2014-04-26 13:19 | 638 | |
| acro-431pdMP2.log | 2014-04-26 13:25 | 101K | |
| acro-431pdMP2.ndo | 2015-02-27 09:59 | 75K | |
| acro-431pdMP2.o21 | 2007-03-23 18:33 | 83K | |
| acro-431pdMP2.oh | 2005-05-08 10:11 | 58K | |
| acro-431pdMP2.om | 2005-09-22 19:07 | 123K | |
| acro-431pdMP2.om1 | 2005-05-13 10:05 | 75K | |
| acro-431pdMP2.om2 | 2005-05-07 17:21 | 89K | |
| acro-431pdMP2.om5 | 2005-05-22 13:57 | 66K | |
| acro-431pdMP2.om8 | 2005-05-22 14:59 | 60K | |
| acro-431pdMP2.om12 | 2005-05-22 19:57 | 63K | |
| acro-431pdMP2.om15 | 2005-05-22 20:19 | 60K | |
| acro-431pdMP2.om1091 | 2005-07-16 14:59 | 77K | |
| acro-431pdMP2_QS01.xyz | 2015-02-27 09:59 | 520 | |
| acro-431pdMP2_QT01.xyz | 2015-02-27 09:59 | 520 | |
| acro-431pdMP2__QS0.xyz | 2015-02-27 09:59 | 520 | |
| acro-431pdMP2_dQS01.xyz | 2015-02-27 09:59 | 520 | |
| acro-431pdMP2_dQT01.xyz | 2015-02-27 09:59 | 520 | |
| acro-ccpVTZMP2.inp | 2008-08-04 18:25 | 455 | |
| acro-ccpVTZMP2.ndo | 2008-08-04 18:25 | 121K | |
| acro-ccpVTZMP2.xyz | 2008-08-04 18:25 | 579 | |
| acro-o.CAR | 2003-09-10 20:54 | 466 | |
| acro-o.NDO | 2008-03-18 03:28 | 76K | |
| acro-o.OUT | 2003-09-10 20:54 | 14K | |
| acro-o.RSM | 2003-09-10 20:54 | 1.7K | |
| acro-opt_cc-pVTZ-MP2..> | 2004-01-25 08:07 | 447 | |
| acro-pop.g98 | 2008-03-01 21:18 | 252K | |
| acro-pop1.g98 | 2008-02-24 20:07 | 250K | |
| acro-test.car | 2005-05-07 17:20 | 365 | |
| acro-test.ndo | 2008-06-25 10:53 | 95K | |
| acroabi.NDO | 2004-01-25 08:28 | 167K | |
| acroabi.om2 | 2005-05-07 17:08 | 88K | |
| acroabi.pdf | 2014-04-29 15:34 | 5.9K | |
| acroabi.skc | 2014-04-29 15:31 | 413 | |
| acroabi.zmt | 2004-01-25 08:27 | 692 | |
| acroleina.CAR | 2002-09-21 00:53 | 466 | |
| acroleina.NDO | 2008-03-21 13:29 | 79K | |
| acroleina.OUT | 2002-09-21 00:53 | 8.3K | |
| acroleina.RSM | 2002-09-21 00:53 | 1.7K | |
| acroleina.chk | 2008-03-01 21:18 | 5.5M | |
| acroleina.mop | 2002-09-21 00:53 | 529 | |
| acroleina.xls | 2014-03-29 22:05 | 38K | |
| acroleina.zindo.out | 2006-01-30 14:36 | 22K | |
| acroleina.zmt | 2002-09-21 00:52 | 506 | |
| acroleina1.NDO | 2002-09-21 00:55 | 60K | |
| dimero ciclico/ | 2017-06-12 14:04 | - | |
| dimero lineal/ | 2017-06-12 14:04 | - | |
| fort.0 | 2008-08-07 07:06 | 184 | |
| fullCIS.OPJ | 2008-08-07 00:19 | 25K | |
| gammas.txt | 2005-09-22 19:07 | 2.1K | |
| geom-431pdMP2.chk | 2014-04-26 13:25 | 3.3M | |
| graficos-7.0/ | 2017-06-12 14:04 | - | |
| graficos0/ | 2017-06-12 14:04 | - | |
| graficos1/ | 2017-06-12 14:04 | - | |
| nohup.out | 2008-08-06 11:16 | 87 | |
| o | 2011-01-25 13:59 | 17 | |
| o20 | 2005-05-07 16:46 | 13 | |
| o23 | 2005-09-22 19:05 | 29 | |
| oCPS0-10n | 2008-06-25 10:51 | 0 | |
| oCPS0-10n.txt | 2008-06-25 10:52 | 108 | |
| oCPS1-10n | 2008-06-25 10:39 | 113 | |
| oCPS1-10n.txt | 2008-06-25 10:35 | 439 | |
| oSeHJ-2n | 2014-04-02 14:42 | 62 | |
| ofcis | 2008-08-03 14:02 | 6 | |
| opt | 2008-04-09 17:39 | 5 | |
| opt11 | 2008-11-10 18:41 | 5 | |
| opt12 | 2008-11-10 20:01 | 5 | |
| opt21 | 2008-11-10 18:41 | 5 | |
| opt21h-fcis | 2009-12-01 22:01 | 9 | |
| opt22 | 2008-04-09 17:59 | 8 | |
| opt22fcis | 2009-04-14 10:02 | 8 | |
| test-ci/ | 2017-06-12 14:04 | - | |
| v7/ | 2017-06-12 14:04 | - | |