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Showing below up to 50 results in range #3,251 to #3,300.
- (download) Ams s4(nh)4 freq 6311g.log . . 0 × 0 . . 59 KB . . Ams111 . . 18:16, 19 November 2013
- (download) Ams s4(nh)4 opt 6311g tight.log . . 0 × 0 . . 312 KB . . Ams111 . . 18:16, 19 November 2013
- (download) Ams s6(NH)2adj freq 6311g.log . . 0 × 0 . . 52 KB . . Ams111 . . 17:14, 19 November 2013
- (download) Ams s6(NH)2adj opt 6311g.log . . 0 × 0 . . 215 KB . . Ams111 . . 18:12, 19 November 2013
- (download) Ams s6(NH)2gap freq 6311g.log . . 0 × 0 . . 51 KB . . Ams111 . . 17:14, 19 November 2013
- (download) Ams s6(NH)2gap opt 6311g.log . . 0 × 0 . . 192 KB . . Ams111 . . 18:12, 19 November 2013
- (download) Ams s7nh freq 6311g.log . . 0 × 0 . . 47 KB . . Ams111 . . 18:08, 19 November 2013
- (download) Ams s7nh freq 631g.log . . 0 × 0 . . 46 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams s7nh opt 321g.log . . 0 × 0 . . 184 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams s7nh opt 6311g.log . . 0 × 0 . . 129 KB . . Ams111 . . 18:08, 19 November 2013
- (download) Ams s7nh opt 631g.log . . 0 × 0 . . 167 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams s7nh opt 631g.mol . . 0 × 0 . . 935 bytes . . Ams111 . . 17:42, 19 November 2013
- (download) Ams s7nh opt 631g Hin start.mol . . 0 × 0 . . 939 bytes . . Ams111 . . 22:21, 20 November 2013
- (download) Ams s7nh opt 631g Hout start.mol . . 0 × 0 . . 940 bytes . . Ams111 . . 22:21, 20 November 2013
- (download) Ams s7nh opt Hin 631g.log . . 0 × 0 . . 158 KB . . Ams111 . . 18:08, 19 November 2013
- (download) Ams s7nh opt Hin 631g.mol . . 0 × 0 . . 939 bytes . . Ams111 . . 17:42, 19 November 2013
- (download) Ams s7nh opt Hout 631g.log . . 0 × 0 . . 198 KB . . Ams111 . . 18:08, 19 November 2013
- (download) Ams s7nh opt Hout 631g.mol . . 0 × 0 . . 940 bytes . . Ams111 . . 17:43, 19 November 2013
- (download) Ams s8 freq 631g.log . . 0 × 0 . . 42 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams s8 freq tight 6311g.log . . 0 × 0 . . 44 KB . . Ams111 . . 17:14, 19 November 2013
- (download) Ams s8 freq tight 631g.log . . 0 × 0 . . 43 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams s8 opt 321g.log . . 0 × 0 . . 126 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams s8 opt 631g.log . . 0 × 0 . . 102 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams s8 opt tight 6311g.log . . 0 × 0 . . 126 KB . . Ams111 . . 16:58, 19 November 2013
- (download) Ams s8 opt tight 631g.log . . 0 × 0 . . 123 KB . . Ams111 . . 18:03, 19 November 2013
- (download) Ams ts boat hf321g qst2 retry.mol . . 0 × 0 . . 2 KB . . Ams111 . . 17:01, 26 November 2013
- (download) Ams ts chair 631gd.mol . . 0 × 0 . . 2 KB . . Ams111 . . 23:18, 26 November 2013
- (download) Ams ts chair hf321g irc data.txt . . 0 × 0 . . 2 KB . . Ams111 . . 21:28, 26 November 2013
- (download) Ams ts chair hf321g irc lastmin.mol . . 0 × 0 . . 2 KB . . Ams111 . . 22:23, 26 November 2013
- (download) AnS NH3BH3 OPT FREQ.log . . 0 × 0 . . 183 KB . . As11815 . . 15:54, 11 May 2018
- (download) Andreeanti2.mol2 . . 0 × 0 . . 982 bytes . . As11511 . . 01:55, 28 November 2013
- (download) AndrewKikomeko BH3 freq.gjf . . 0 × 0 . . 429 bytes . . Ak7611 . . 12:48, 11 October 2013
- (download) AndrewKikomeko nh3 freq.gjf . . 0 × 0 . . 421 bytes . . Ak7611 . . 20:25, 10 October 2013
- (download) Angus AL2CL4BR2 FREQ.LOG . . 0 × 0 . . 1.04 MB . . Phw417 . . 14:29, 9 May 2019
- (download) Angus Al opt freq.gjf.log . . 0 × 0 . . 35 KB . . Phw417 . . 18:03, 9 May 2019
- (download) Angus cis opt freq.gjf . . 0 × 0 . . 859 bytes . . Phw417 . . 17:39, 9 May 2019
- (download) Angus trans opt freq.gjf . . 0 × 0 . . 802 bytes . . Phw417 . . 17:38, 9 May 2019
- (download) Anhydeide am1.LOG . . 0 × 0 . . 120 KB . . Xz7013 . . 15:56, 16 December 2015
- (download) AnhydrideTransitionStaterDerivative1.fchk . . 0 × 0 . . 1.15 MB . . Ts3210 . . 15:24, 2 November 2012
- (download) AnhydrideTransitionStaterDerivative1.log . . 0 × 0 . . 502 KB . . Ts3210 . . 15:23, 2 November 2012
- (download) AnhydrideTransitionStaterDerivative2.fchk . . 0 × 0 . . 1.16 MB . . Ts3210 . . 15:23, 2 November 2012
- (download) AnhydrideTransitionStaterDerivative2.log . . 0 × 0 . . 661 KB . . Ts3210 . . 15:23, 2 November 2012
- (download) AnhydrideTransitionStaterFreeze1.fchk . . 0 × 0 . . 1.2 MB . . Ts3210 . . 15:19, 2 November 2012
- (download) AnhydrideTransitionStaterFreeze1.log . . 0 × 0 . . 1.3 MB . . Ts3210 . . 15:19, 2 November 2012
- (download) AnhydrideTransitionStaterFreeze2.fchk . . 0 × 0 . . 1.17 MB . . Ts3210 . . 15:17, 2 November 2012
- (download) AnhydrideTransitionStaterFreeze2.log . . 0 × 0 . . 801 KB . . Ts3210 . . 15:17, 2 November 2012
- (download) Anhydride 631.LOG . . 0 × 0 . . 98 KB . . Xz7013 . . 15:56, 16 December 2015
- (download) Anhydrideam1optimisation gf609.mol . . 0 × 0 . . 944 bytes . . Gf609 . . 17:43, 16 February 2012
- (download) Anhydridedftoptimisation gf609.mol . . 0 × 0 . . 944 bytes . . Gf609 . . 17:43, 16 February 2012
- (download) Aniallatorbh3optimised.mol . . 0 × 0 . . 444 bytes . . Nak09 . . 12:16, 11 March 2012