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Showing below up to 50 results in range #1 to #50.
- (download) !!!Mo(CO)4L2 cis main optimised.mol . . 0 × 0 . . 1 KB . . Hmb07 . . 14:54, 8 February 2011
- (download) !!Mo(CO)4L2 trans main optimised.mol . . 0 × 0 . . 1 KB . . Hmb07 . . 14:48, 8 February 2011
- (download) !!Mo(CO)L42 cis main optimised.mol . . 0 × 0 . . 1 KB . . Hmb07 . . 14:46, 8 February 2011
- (download) !Mo(CO)4L2 trans main optimised.mol . . 0 × 0 . . 1 KB . . Hmb07 . . 14:37, 8 February 2011
- (download) !Mo(CO)L42 cis main optimised.mol . . 0 × 0 . . 1 KB . . Hmb07 . . 14:37, 8 February 2011
- (download) (1)DFToptfreqss7009.mol . . 0 × 0 . . 2 KB . . Ss7009 . . 12:20, 12 December 2011
- (download) (1)OPTFReqFAILcalc.mol . . 0 × 0 . . 2 KB . . Ss7009 . . 14:26, 12 December 2011
- (download) (1) after freq with charges.mol . . 0 × 0 . . 1 KB . . Jyc08 . . 17:24, 14 March 2011
- (download) (1) after opt.mol . . 0 × 0 . . 1 KB . . Jyc08 . . 13:42, 14 March 2011
- (download) (1) cubebol sm.mol . . 0 × 0 . . 4 KB . . Sm2609 . . 22:01, 22 November 2011
- (download) (1) diborabenzene before opt with charges maxcycle 50.mol . . 0 × 0 . . 1 KB . . Jyc08 . . 13:57, 14 March 2011
- (download) (1) opt.mol . . 0 × 0 . . 1 KB . . Jyc08 . . 21:52, 11 March 2011
- (download) (12).mol . . 0 × 0 . . 2 KB . . Jyc08 . . 20:17, 28 February 2011
- (download) (1S, 2R) dihydronapthalene oxide 1H NMR summary.txt . . 0 × 0 . . 614 bytes . . Kl1111 . . 13:04, 11 February 2015
- (download) (2)KK3015 N2 OPTF POP.LOG . . 0 × 0 . . 196 KB . . Kk3015 . . 15:53, 16 March 2016
- (download) (2)OPTFReqeditedbondanglescalc.mol . . 0 × 0 . . 2 KB . . Ss7009 . . 14:27, 12 December 2011
- (download) (2) after opt.mol . . 0 × 0 . . 3 KB . . Jyc08 . . 13:37, 12 March 2011
- (download) (2) cubebol isomer sm.mol . . 0 × 0 . . 4 KB . . Sm2609 . . 22:02, 22 November 2011
- (download) (2R,3R)-trans-B-methylstyrene epoxide Shi TS den.cub.xyz . . 0 × 0 . . 2 KB . . Sm7411 . . 18:53, 19 March 2014
- (download) (2R,3R)-trans-B-methylstyrene epoxide Shi TS den.xyz . . 0 × 0 . . 2 KB . . Sm7411 . . 18:56, 19 March 2014
- (download) (3)KK3015 N2 OPTF POP.LOG . . 0 × 0 . . 196 KB . . Kk3015 . . 15:57, 16 March 2016
- (download) (3) Chemdraw.cdx . . 0 × 0 . . 2 KB . . Jyc08 . . 14:05, 25 February 2011
- (download) (3) after freq with charges.mol . . 0 × 0 . . 3 KB . . Jyc08 . . 18:57, 14 March 2011
- (download) (3) after opt.mol . . 0 × 0 . . 3 KB . . Jyc08 . . 19:23, 12 March 2011
- (download) (3) opt.mol . . 0 × 0 . . 3 KB . . Jyc08 . . 19:51, 12 March 2011
- (download) (3) opt MAXCYCLE 50 with charges.mol . . 0 × 0 . . 3 KB . . Jyc08 . . 12:02, 14 March 2011
- (download) (3)freezecoordiantemethodss7009.mol . . 0 × 0 . . 2 KB . . Ss7009 . . 12:21, 12 December 2011
- (download) (4).mol . . 0 × 0 . . 2 KB . . Jyc08 . . 17:06, 26 February 2011
- (download) (5).mol . . 0 × 0 . . 3 KB . . Jyc08 . . 22:04, 26 February 2011
- (download) (7) -16.6.mol . . 0 × 0 . . 4 KB . . Mc1508 . . 19:34, 24 February 2011
- (download) (7) 16.6.mol . . 0 × 0 . . 4 KB . . Mc1508 . . 19:43, 24 February 2011
- (download) (B).mol . . 0 × 0 . . 2 KB . . Lha13 . . 16:53, 5 November 2015
- (download) (C5H6)2endo hydro1 opt.mol . . 0 × 0 . . 2 KB . . Jps112 . . 14:56, 8 December 2014
- (download) (C5H6)2endo hydro2 opt.mol . . 0 × 0 . . 2 KB . . Jps112 . . 14:56, 8 December 2014
- (download) (C5H6)2endo opt.mol . . 0 × 0 . . 2 KB . . Jps112 . . 14:09, 8 December 2014
- (download) (C5H6)2exo opt.mol . . 0 × 0 . . 2 KB . . Jps112 . . 14:12, 8 December 2014
- (download) (CHCN)+ FREQ LAL.log . . 0 × 0 . . 89 KB . . Ll4010 . . 14:25, 22 November 2012
- (download) (CHCN)+ MOOUT LAL.log . . 0 × 0 . . 1.12 MB . . Ll4010 . . 18:43, 22 November 2012
- (download) (CHCN)+ OPT2 LAL.log . . 0 × 0 . . 155 KB . . Ll4010 . . 14:27, 22 November 2012
- (download) (Cis 1st).mol . . 0 × 0 . . 2 KB . . St408 . . 16:08, 7 February 2011
- (download) (Cis 2nd).mol . . 0 × 0 . . 2 KB . . St408 . . 16:09, 7 February 2011
- (download) (D)OPT.LOG . . 0 × 0 . . 258 KB . . Kfl13 . . 13:50, 17 December 2015
- (download) (ENERGY CAL GFPRINT) FOR CYCLOHEXADIENE AND 13DIOXOLE.LOG . . 0 × 0 . . 1.08 MB . . Dy815 . . 21:21, 27 February 2018
- (download) (NAD+ analogue) 5.mol . . 0 × 0 . . 3 KB . . St408 . . 21:17, 24 January 2011
- (download) (NAD+ analogue) 77.mol . . 0 × 0 . . 4 KB . . St408 . . 14:35, 27 January 2011
- (download) (NMe3CH2CN)+ MO HPC.log . . 0 × 0 . . 856 KB . . Ecm10 . . 11:24, 23 November 2012
- (download) (NMe3CH2CN)+ freq HPC ecm10.log . . 0 × 0 . . 93 KB . . Ecm10 . . 11:24, 23 November 2012
- (download) (NMe3CH2CN)+ opt HPC ecm10.log . . 0 × 0 . . 158 KB . . Ecm10 . . 11:24, 23 November 2012
- (download) (NMe3CH2OH)+ MO HPC.log . . 0 × 0 . . 760 KB . . Ecm10 . . 11:57, 23 November 2012
- (download) (NMe3CH2OH)+ freq FINAL 2 HPC.log . . 0 × 0 . . 92 KB . . Ecm10 . . 11:57, 23 November 2012