id sid tid token lemma pos 0p096684p4h 1 1 asymmetric asymmetric ADJ 0p096684p4h 1 2 synthesis synthesis NOUN 0p096684p4h 1 3 is be AUX 0p096684p4h 1 4 an an DET 0p096684p4h 1 5 important important ADJ 0p096684p4h 1 6 area area NOUN 0p096684p4h 1 7 of of ADP 0p096684p4h 1 8 modern modern ADJ 0p096684p4h 1 9 organic organic ADJ 0p096684p4h 1 10 chemistry chemistry NOUN 0p096684p4h 1 11 as as ADV 0p096684p4h 1 12 many many ADJ 0p096684p4h 1 13 biologically biologically ADV 0p096684p4h 1 14 important important ADJ 0p096684p4h 1 15 molecules molecule NOUN 0p096684p4h 1 16 contain contain VERB 0p096684p4h 1 17 chiral chiral ADJ 0p096684p4h 1 18 centers center NOUN 0p096684p4h 1 19 , , PUNCT 0p096684p4h 1 20 but but CCONJ 0p096684p4h 1 21 the the DET 0p096684p4h 1 22 choice choice NOUN 0p096684p4h 1 23 of of ADP 0p096684p4h 1 24 ligand ligand NOUN 0p096684p4h 1 25 is be AUX 0p096684p4h 1 26 often often ADV 0p096684p4h 1 27 based base VERB 0p096684p4h 1 28 on on ADP 0p096684p4h 1 29 high high ADJ 0p096684p4h 1 30 throughput throughput NOUN 0p096684p4h 1 31 screening screening NOUN 0p096684p4h 1 32 or or CCONJ 0p096684p4h 1 33 simply simply ADV 0p096684p4h 1 34 trial trial NOUN 0p096684p4h 1 35 and and CCONJ 0p096684p4h 1 36 error error NOUN 0p096684p4h 1 37 . . PUNCT 0p096684p4h 2 1 a a DET 0p096684p4h 2 2 virtual virtual ADJ 0p096684p4h 2 3 screening screening NOUN 0p096684p4h 2 4 method method NOUN 0p096684p4h 2 5 can can AUX 0p096684p4h 2 6 greatly greatly ADV 0p096684p4h 2 7 increase increase VERB 0p096684p4h 2 8 the the DET 0p096684p4h 2 9 speed speed NOUN 0p096684p4h 2 10 of of ADP 0p096684p4h 2 11 the the DET 0p096684p4h 2 12 ligand ligand NOUN 0p096684p4h 2 13 screening screening NOUN 0p096684p4h 2 14 process process NOUN 0p096684p4h 2 15 by by ADP 0p096684p4h 2 16 calculating calculate VERB 0p096684p4h 2 17 expected expect VERB 0p096684p4h 2 18 enantiomeric enantiomeric NOUN 0p096684p4h 2 19 excesses excess NOUN 0p096684p4h 2 20 . . PUNCT 0p096684p4h 3 1 the the DET 0p096684p4h 3 2 q2 q2 PROPN 0p096684p4h 3 3 mm mm PROPN 0p096684p4h 3 4 method method NOUN 0p096684p4h 3 5 was be AUX 0p096684p4h 3 6 utilized utilize VERB 0p096684p4h 3 7 to to PART 0p096684p4h 3 8 develop develop VERB 0p096684p4h 3 9 molecular molecular ADJ 0p096684p4h 3 10 mechanics mechanic NOUN 0p096684p4h 3 11 parameters parameter NOUN 0p096684p4h 3 12 for for ADP 0p096684p4h 3 13 such such DET 0p096684p4h 3 14 a a DET 0p096684p4h 3 15 method method NOUN 0p096684p4h 3 16 . . PUNCT 0p096684p4h 4 1 the the DET 0p096684p4h 4 2 rhodium rhodium NOUN 0p096684p4h 4 3 catalyzed catalyze VERB 0p096684p4h 4 4 asymmetric asymmetric ADJ 0p096684p4h 4 5 hydrogenation hydrogenation NOUN 0p096684p4h 4 6 of of ADP 0p096684p4h 4 7 enamides enamide NOUN 0p096684p4h 4 8 to to PART 0p096684p4h 4 9 generate generate VERB 0p096684p4h 4 10 amino amino ADJ 0p096684p4h 4 11 acid acid NOUN 0p096684p4h 4 12 products product NOUN 0p096684p4h 4 13 and and CCONJ 0p096684p4h 4 14 derivatives derivative NOUN 0p096684p4h 4 15 is be AUX 0p096684p4h 4 16 a a DET 0p096684p4h 4 17 widely widely ADV 0p096684p4h 4 18 used use VERB 0p096684p4h 4 19 method method NOUN 0p096684p4h 4 20 to to PART 0p096684p4h 4 21 generate generate VERB 0p096684p4h 4 22 unnatural unnatural ADJ 0p096684p4h 4 23 amino amino ADJ 0p096684p4h 4 24 acids acid NOUN 0p096684p4h 4 25 . . PUNCT 0p096684p4h 5 1 the the DET 0p096684p4h 5 2 b3lyp b3lyp SPACE 0p096684p4h 5 3 / / SYM 0p096684p4h 5 4 lacvp lacvp NOUN 0p096684p4h 5 5 * * NOUN 0p096684p4h 5 6 * * ADJ 0p096684p4h 5 7 calculated calculate VERB 0p096684p4h 5 8 potential potential ADJ 0p096684p4h 5 9 energy energy NOUN 0p096684p4h 5 10 surfaces surface NOUN 0p096684p4h 5 11 for for ADP 0p096684p4h 5 12 the the DET 0p096684p4h 5 13 hydrogenations hydrogenation NOUN 0p096684p4h 5 14 of of ADP 0p096684p4h 5 15 varied varied ADJ 0p096684p4h 5 16 substrates substrate NOUN 0p096684p4h 5 17 while while SCONJ 0p096684p4h 5 18 utilizing utilize VERB 0p096684p4h 5 19 a a DET 0p096684p4h 5 20 common common ADJ 0p096684p4h 5 21 ligand ligand NOUN 0p096684p4h 5 22 indicate indicate VERB 0p096684p4h 5 23 a a DET 0p096684p4h 5 24 mechanistic mechanistic ADJ 0p096684p4h 5 25 change change NOUN 0p096684p4h 5 26 based base VERB 0p096684p4h 5 27 on on ADP 0p096684p4h 5 28 substrate substrate NOUN 0p096684p4h 5 29 . . PUNCT 0p096684p4h 6 1 this this PRON 0p096684p4h 6 2 has have VERB 0p096684p4h 6 3 a a DET 0p096684p4h 6 4 significant significant ADJ 0p096684p4h 6 5 impact impact NOUN 0p096684p4h 6 6 on on ADP 0p096684p4h 6 7 the the DET 0p096684p4h 6 8 origins origin NOUN 0p096684p4h 6 9 of of ADP 0p096684p4h 6 10 enantioselectivity enantioselectivity NOUN 0p096684p4h 6 11 as as ADP 0p096684p4h 6 12 the the DET 0p096684p4h 6 13 first first ADJ 0p096684p4h 6 14 hydride hydride NOUN 0p096684p4h 6 15 transfer transfer NOUN 0p096684p4h 6 16 to to ADP 0p096684p4h 6 17 the the DET 0p096684p4h 6 18 substrate substrate NOUN 0p096684p4h 6 19 is be AUX 0p096684p4h 6 20 calculated calculate VERB 0p096684p4h 6 21 to to PART 0p096684p4h 6 22 be be AUX 0p096684p4h 6 23 irreversible irreversible ADJ 0p096684p4h 6 24 for for ADP 0p096684p4h 6 25 all all DET 0p096684p4h 6 26 substrates substrate NOUN 0p096684p4h 6 27 , , PUNCT 0p096684p4h 6 28 independent independent ADJ 0p096684p4h 6 29 of of ADP 0p096684p4h 6 30 whether whether SCONJ 0p096684p4h 6 31 it it PRON 0p096684p4h 6 32 occurs occur VERB 0p096684p4h 6 33 at at ADP 0p096684p4h 6 34 the the DET 0p096684p4h 6 35 ì_å± ì_å± NOUN 0p096684p4h 6 36 or or CCONJ 0p096684p4h 6 37 ì_å ì_å SPACE 0p096684p4h 6 38 _ _ PROPN 0p096684p4h 6 39 carbon carbon NOUN 0p096684p4h 6 40 of of ADP 0p096684p4h 6 41 the the DET 0p096684p4h 6 42 olefin olefin NOUN 0p096684p4h 6 43 . . PUNCT 0p096684p4h 7 1 utilizing utilize VERB 0p096684p4h 7 2 the the DET 0p096684p4h 7 3 q2 q2 PROPN 0p096684p4h 7 4 mm mm PROPN 0p096684p4h 7 5 method method NOUN 0p096684p4h 7 6 , , PUNCT 0p096684p4h 7 7 new new ADJ 0p096684p4h 7 8 molecular molecular ADJ 0p096684p4h 7 9 mechanics mechanic NOUN 0p096684p4h 7 10 parameters parameter NOUN 0p096684p4h 7 11 are be AUX 0p096684p4h 7 12 derived derive VERB 0p096684p4h 7 13 to to PART 0p096684p4h 7 14 model model VERB 0p096684p4h 7 15 two two NUM 0p096684p4h 7 16 important important ADJ 0p096684p4h 7 17 transition transition NOUN 0p096684p4h 7 18 structures structure NOUN 0p096684p4h 7 19 and and CCONJ 0p096684p4h 7 20 an an DET 0p096684p4h 7 21 intermediate intermediate ADJ 0p096684p4h 7 22 ground ground NOUN 0p096684p4h 7 23 state state NOUN 0p096684p4h 7 24 structure structure NOUN 0p096684p4h 7 25 in in ADP 0p096684p4h 7 26 the the DET 0p096684p4h 7 27 hydrogenation hydrogenation NOUN 0p096684p4h 7 28 of of ADP 0p096684p4h 7 29 dehydro dehydro PROPN 0p096684p4h 7 30 - - PUNCT 0p096684p4h 7 31 ì_å±-amino ì_å±-amino NUM 0p096684p4h 7 32 acids acid NOUN 0p096684p4h 7 33 and and CCONJ 0p096684p4h 7 34 corresponding correspond VERB 0p096684p4h 7 35 derivatives derivative NOUN 0p096684p4h 7 36 . . PUNCT 0p096684p4h 8 1 the the DET 0p096684p4h 8 2 new new ADJ 0p096684p4h 8 3 parameters parameter NOUN 0p096684p4h 8 4 are be AUX 0p096684p4h 8 5 based base VERB 0p096684p4h 8 6 on on ADP 0p096684p4h 8 7 structures structure NOUN 0p096684p4h 8 8 calculated calculate VERB 0p096684p4h 8 9 at at ADP 0p096684p4h 8 10 the the DET 0p096684p4h 8 11 b3lyp b3lyp SPACE 0p096684p4h 8 12 / / SYM 0p096684p4h 8 13 lacvp lacvp NOUN 0p096684p4h 8 14 * * NOUN 0p096684p4h 8 15 * * NOUN 0p096684p4h 8 16 level level NOUN 0p096684p4h 8 17 of of ADP 0p096684p4h 8 18 theory theory NOUN 0p096684p4h 8 19 and and CCONJ 0p096684p4h 8 20 added add VERB 0p096684p4h 8 21 to to ADP 0p096684p4h 8 22 the the DET 0p096684p4h 8 23 mm3 mm3 PROPN 0p096684p4h 8 24 * * NOUN 0p096684p4h 8 25 force force NOUN 0p096684p4h 8 26 field field NOUN 0p096684p4h 8 27 . . PUNCT 0p096684p4h 9 1 the the DET 0p096684p4h 9 2 new new ADJ 0p096684p4h 9 3 parameters parameter NOUN 0p096684p4h 9 4 were be AUX 0p096684p4h 9 5 tested test VERB 0p096684p4h 9 6 against against ADP 0p096684p4h 9 7 a a DET 0p096684p4h 9 8 test test NOUN 0p096684p4h 9 9 set set NOUN 0p096684p4h 9 10 of of ADP 0p096684p4h 9 11 47 47 NUM 0p096684p4h 9 12 points point NOUN 0p096684p4h 9 13 of of ADP 0p096684p4h 9 14 experimental experimental ADJ 0p096684p4h 9 15 data datum NOUN 0p096684p4h 9 16 utilizing utilize VERB 0p096684p4h 9 17 a a DET 0p096684p4h 9 18 wide wide ADJ 0p096684p4h 9 19 range range NOUN 0p096684p4h 9 20 of of ADP 0p096684p4h 9 21 bis bis ADJ 0p096684p4h 9 22 - - PUNCT 0p096684p4h 9 23 phosphine phosphine ADJ 0p096684p4h 9 24 ligands ligand NOUN 0p096684p4h 9 25 , , PUNCT 0p096684p4h 9 26 with with ADP 0p096684p4h 9 27 good good ADJ 0p096684p4h 9 28 agreement agreement NOUN 0p096684p4h 9 29 between between ADP 0p096684p4h 9 30 theory theory NOUN 0p096684p4h 9 31 and and CCONJ 0p096684p4h 9 32 experiment experiment NOUN 0p096684p4h 9 33 . . PUNCT 0p096684p4h 10 1 data data NOUN 0p096684p4h 10 2 points point NOUN 0p096684p4h 10 3 with with ADP 0p096684p4h 10 4 large large ADJ 0p096684p4h 10 5 quantitative quantitative ADJ 0p096684p4h 10 6 errors error NOUN 0p096684p4h 10 7 still still ADV 0p096684p4h 10 8 give give VERB 0p096684p4h 10 9 good good ADJ 0p096684p4h 10 10 qualitative qualitative ADJ 0p096684p4h 10 11 results result NOUN 0p096684p4h 10 12 , , PUNCT 0p096684p4h 10 13 and and CCONJ 0p096684p4h 10 14 reasons reason NOUN 0p096684p4h 10 15 for for ADP 0p096684p4h 10 16 these these DET 0p096684p4h 10 17 errors error NOUN 0p096684p4h 10 18 are be AUX 0p096684p4h 10 19 discussed discuss VERB 0p096684p4h 10 20 . . PUNCT 0p096684p4h 11 1 a a DET 0p096684p4h 11 2 second second ADJ 0p096684p4h 11 3 reaction reaction NOUN 0p096684p4h 11 4 studied study VERB 0p096684p4h 11 5 was be AUX 0p096684p4h 11 6 the the DET 0p096684p4h 11 7 silver silver ADJ 0p096684p4h 11 8 catalyzed catalyze VERB 0p096684p4h 11 9 intramolecular intramolecular ADJ 0p096684p4h 11 10 hydroamination hydroamination NOUN 0p096684p4h 11 11 of of ADP 0p096684p4h 11 12 alkynes alkyne NOUN 0p096684p4h 11 13 , , PUNCT 0p096684p4h 11 14 which which PRON 0p096684p4h 11 15 is be AUX 0p096684p4h 11 16 an an DET 0p096684p4h 11 17 effective effective ADJ 0p096684p4h 11 18 method method NOUN 0p096684p4h 11 19 for for ADP 0p096684p4h 11 20 the the DET 0p096684p4h 11 21 rapid rapid ADJ 0p096684p4h 11 22 construction construction NOUN 0p096684p4h 11 23 of of ADP 0p096684p4h 11 24 nitrogen nitrogen NOUN 0p096684p4h 11 25 heterocycles heterocycle NOUN 0p096684p4h 11 26 . . PUNCT 0p096684p4h 12 1 the the DET 0p096684p4h 12 2 chiral chiral ADJ 0p096684p4h 12 3 ligands ligand NOUN 0p096684p4h 12 4 in in ADP 0p096684p4h 12 5 the the DET 0p096684p4h 12 6 library library NOUN 0p096684p4h 12 7 are be AUX 0p096684p4h 12 8 derived derive VERB 0p096684p4h 12 9 from from ADP 0p096684p4h 12 10 a a DET 0p096684p4h 12 11 phenanthroline phenanthroline NOUN 0p096684p4h 12 12 scaffold scaffold NOUN 0p096684p4h 12 13 . . PUNCT 0p096684p4h 13 1 as as ADP 0p096684p4h 13 2 before before ADV 0p096684p4h 13 3 , , PUNCT 0p096684p4h 13 4 new new ADJ 0p096684p4h 13 5 mm3 mm3 NOUN 0p096684p4h 13 6 * * NOUN 0p096684p4h 13 7 parameters parameter NOUN 0p096684p4h 13 8 were be AUX 0p096684p4h 13 9 developed develop VERB 0p096684p4h 13 10 to to PART 0p096684p4h 13 11 describe describe VERB 0p096684p4h 13 12 the the DET 0p096684p4h 13 13 transition transition NOUN 0p096684p4h 13 14 state state NOUN 0p096684p4h 13 15 and and CCONJ 0p096684p4h 13 16 subsequent subsequent ADJ 0p096684p4h 13 17 screening screening NOUN 0p096684p4h 13 18 of of ADP 0p096684p4h 13 19 a a DET 0p096684p4h 13 20 selection selection NOUN 0p096684p4h 13 21 of of ADP 0p096684p4h 13 22 chiral chiral ADJ 0p096684p4h 13 23 ligands ligand NOUN 0p096684p4h 13 24 against against ADP 0p096684p4h 13 25 a a DET 0p096684p4h 13 26 common common ADJ 0p096684p4h 13 27 , , PUNCT 0p096684p4h 13 28 symmetric symmetric ADJ 0p096684p4h 13 29 aminodiyne aminodiyne PROPN 0p096684p4h 13 30 . . PUNCT 0p096684p4h 14 1 preliminary preliminary ADJ 0p096684p4h 14 2 synthesis synthesis NOUN 0p096684p4h 14 3 of of ADP 0p096684p4h 14 4 an an DET 0p096684p4h 14 5 aminodiyne aminodiyne PROPN 0p096684p4h 14 6 substrate substrate NOUN 0p096684p4h 14 7 was be AUX 0p096684p4h 14 8 also also ADV 0p096684p4h 14 9 performed perform VERB 0p096684p4h 14 10 for for ADP 0p096684p4h 14 11 experimental experimental ADJ 0p096684p4h 14 12 verification verification NOUN 0p096684p4h 14 13 of of ADP 0p096684p4h 14 14 the the DET 0p096684p4h 14 15 predictions prediction NOUN 0p096684p4h 14 16 . . PUNCT