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Publications | Monserrat Lab
www.tcm.phy.cam.ac.uk/~bm418/publications.html8 May 2024: 24. J.C.A. Prentice, B. Monserrat, and R.J. Needs. First principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond. -
9,10 dimethoxy[7]helicene
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/helicene.html6 May 2024: 2)18-16-22-14-12-20-8-4-6-10-24(20)28(22)30/h3-18H,1-2H3. ... AuxInfo=1/0/N:21,22,34,28,32,30,33,27,31,29,13,7,14,8,24,26,23,25,18,12,15,9,17,11,6,3,16, -
dracorubin
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/dracorubin.html6 May 2024: 20-11-7-4-8-12-20)30-28(37-31(18)29)17-26(34-2)21-13-14-24(36-32(21)30)19-9-5-3-6-10- ... 18,10,17,13,20,34,36,12,24,19/E:(5,6)(7,8)(9,10)(11,12)/it:im/rA:37nCCCCCCCCCCCOCCCCCCOCCCCOCCCCCCCCCOCOC/rB:d1;s2;d3;s4;s1d5;s4;d7; -
cavicularin
https://www-jmg.ch.cam.ac.uk/data/molecules/misc/cavicularin.html6 May 2024: SMILES. InChI. ... 18,24,28,19,11,29,16,3,6,26,9,4,15,17,23,8,5,1,12,2,7,13,31,22,30,14/E:(1,2)(7,8)/ -
dolabriferol
https://www-jmg.ch.cam.ac.uk/data/molecules/polyketides/dolabriferol.html6 May 2024: 1/C21H38O6/c1-9-16(22)12(5)17(23)13(6)20(24)26-19-14(7)18(11(3)4)27-21(25,10-2)15(19)8/h11- ... AuxInfo=1/0/N:17,25,8,9,26,27,20,18,16,24,7,14,12,2,6,15,13,3,1,11,5,22,21,23,19,10,4/ -
https://www.english.cam.ac.uk/cmt/?feed=rss2&author=102
https://www.english.cam.ac.uk/cmt/?feed=rss2&author=10226 Apr 2024: href="http://www.english.cam.ac.uk/cmt/wp-content/uploads/2015/11/Screenshot-2015-11-02-16.24.24.png"img loading="lazy" decoding="async" class="size-medium ... 4856 alignright" -
CaMLSys
mlsys.cst.cam.ac.uk/7 May 2024: Latest News. [Jul 24, 2020] Launching the Flower Federated Learning Tool. -
spongistatin 1
https://www-jmg.ch.cam.ac.uk/data/molecules/polyketides/spongistatin.html6 May 2024: 24-46(83-62)26-54(71)80-57/h13,15,17-18,36-39,42-49,51-53,55-59,67-68,70,72-75H,1-3,12,14,16, ... 4,46,50,52,24,13,26,53,68,86,78,61,81,11,70,33,44,72,74,71,79,82,3,49,47,20,12,32,27,54/it: -
amphidinoketide I
https://www-jmg.ch.cam.ac.uk/data/molecules/polyketides/amphidinoketideI.html6 May 2024: 24(28)19(5)15-22(26)12-11-21(25)13-17(2)3/h7,13,18-20H,1,8-12,14-16H2,2-6H3/t18-,19+,20+/m0/s1. ... 24/E:(2,3)/it:im/rA:28nCCCCCCCCCCCCCCCCCCCCCOCOCOOC/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s19;N6;d8;P9; -
InChIKey Collision
https://www-jmg.ch.cam.ac.uk/data/inchi/6 May 2024: 69)38(6)56(78-41(9)66)36(4)34(2)21-49-28-60(10,74)32-62(84-49)30-48(77-40(8)65)24-46(83-
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