id sid tid token lemma pos 5999n300078 1 1 zeolites zeolite NOUN 5999n300078 1 2 are be AUX 5999n300078 1 3 microporous microporous ADJ 5999n300078 1 4 aluminosilicate aluminosilicate ADJ 5999n300078 1 5 materials material NOUN 5999n300078 1 6 with with ADP 5999n300078 1 7 well well ADV 5999n300078 1 8 - - PUNCT 5999n300078 1 9 defined define VERB 5999n300078 1 10 channels channel NOUN 5999n300078 1 11 and and CCONJ 5999n300078 1 12 cavities cavity NOUN 5999n300078 1 13 . . PUNCT 5999n300078 2 1 cu cu PROPN 5999n300078 2 2 - - PUNCT 5999n300078 2 3 exchanged exchange VERB 5999n300078 2 4 zeolites zeolite NOUN 5999n300078 2 5 have have VERB 5999n300078 2 6 remarkable remarkable ADJ 5999n300078 2 7 catalytic catalytic ADJ 5999n300078 2 8 properties property NOUN 5999n300078 2 9 due due ADP 5999n300078 2 10 to to ADP 5999n300078 2 11 the the DET 5999n300078 2 12 unique unique ADJ 5999n300078 2 13 redox redox ADJ 5999n300078 2 14 properties property NOUN 5999n300078 2 15 of of ADP 5999n300078 2 16 cu cu PROPN 5999n300078 2 17 , , PUNCT 5999n300078 2 18 as as SCONJ 5999n300078 2 19 has have AUX 5999n300078 2 20 been be AUX 5999n300078 2 21 inferred infer VERB 5999n300078 2 22 in in ADP 5999n300078 2 23 selective selective ADJ 5999n300078 2 24 catalytic catalytic ADJ 5999n300078 2 25 reduction reduction NOUN 5999n300078 2 26 ( ( PUNCT 5999n300078 2 27 scr scr PROPN 5999n300078 2 28 ) ) PUNCT 5999n300078 2 29 of of ADP 5999n300078 2 30 nox nox NOUN 5999n300078 2 31 with with ADP 5999n300078 2 32 ammonia ammonia NOUN 5999n300078 2 33 and and CCONJ 5999n300078 2 34 in in ADP 5999n300078 2 35 partial partial ADJ 5999n300078 2 36 methane methane NOUN 5999n300078 2 37 oxidation oxidation NOUN 5999n300078 2 38 to to AUX 5999n300078 2 39 methanol methanol NOUN 5999n300078 2 40 ( ( PUNCT 5999n300078 2 41 pmo pmo PROPN 5999n300078 2 42 ) ) PUNCT 5999n300078 2 43 . . PUNCT 5999n300078 3 1 the the DET 5999n300078 3 2 precise precise ADJ 5999n300078 3 3 identity identity NOUN 5999n300078 3 4 and and CCONJ 5999n300078 3 5 quantity quantity NOUN 5999n300078 3 6 of of ADP 5999n300078 3 7 cu cu NOUN 5999n300078 3 8 species specie NOUN 5999n300078 3 9 and and CCONJ 5999n300078 3 10 their their PRON 5999n300078 3 11 sensitivity sensitivity NOUN 5999n300078 3 12 to to ADP 5999n300078 3 13 zeolite zeolite NOUN 5999n300078 3 14 framework framework NOUN 5999n300078 3 15 compositions composition NOUN 5999n300078 3 16 and and CCONJ 5999n300078 3 17 synthesis synthesis NOUN 5999n300078 3 18 conditions condition NOUN 5999n300078 3 19 remain remain VERB 5999n300078 3 20 obscure obscure ADJ 5999n300078 3 21 . . PUNCT 5999n300078 4 1 in in ADP 5999n300078 4 2 this this DET 5999n300078 4 3 dissertation dissertation NOUN 5999n300078 4 4 , , PUNCT 5999n300078 4 5 i i PRON 5999n300078 4 6 describe describe VERB 5999n300078 4 7 my my PRON 5999n300078 4 8 usage usage NOUN 5999n300078 4 9 of of ADP 5999n300078 4 10 supercell supercell NOUN 5999n300078 4 11 density density NOUN 5999n300078 4 12 functional functional ADJ 5999n300078 4 13 theory theory NOUN 5999n300078 4 14 ( ( PUNCT 5999n300078 4 15 dft dft NOUN 5999n300078 4 16 ) ) PUNCT 5999n300078 4 17 models model NOUN 5999n300078 4 18 to to PART 5999n300078 4 19 determine determine VERB 5999n300078 4 20 siteand siteand PROPN 5999n300078 4 21 condition condition NOUN 5999n300078 4 22 - - PUNCT 5999n300078 4 23 dependent dependent ADJ 5999n300078 4 24 composition composition NOUN 5999n300078 4 25 of of ADP 5999n300078 4 26 cu cu NOUN 5999n300078 4 27 species specie NOUN 5999n300078 4 28 in in ADP 5999n300078 4 29 cu cu PROPN 5999n300078 4 30 - - PUNCT 5999n300078 4 31 cha cha NOUN 5999n300078 4 32 zeolites zeolite NOUN 5999n300078 4 33 . . PUNCT 5999n300078 5 1 in in ADP 5999n300078 5 2 addition addition NOUN 5999n300078 5 3 , , PUNCT 5999n300078 5 4 i i PRON 5999n300078 5 5 show show VERB 5999n300078 5 6 how how SCONJ 5999n300078 5 7 ab ab PROPN 5999n300078 5 8 initio initio NOUN 5999n300078 5 9 molecular molecular ADJ 5999n300078 5 10 dynamics dynamic NOUN 5999n300078 5 11 ( ( PUNCT 5999n300078 5 12 aimd aimd PROPN 5999n300078 5 13 ) ) PUNCT 5999n300078 5 14 and and CCONJ 5999n300078 5 15 monte monte PROPN 5999n300078 5 16 carlo carlo PROPN 5999n300078 5 17 simulations simulation NOUN 5999n300078 5 18 are be AUX 5999n300078 5 19 used use VERB 5999n300078 5 20 to to PART 5999n300078 5 21 explore explore VERB 5999n300078 5 22 the the DET 5999n300078 5 23 thermodynamics thermodynamic NOUN 5999n300078 5 24 of of ADP 5999n300078 5 25 heteroatom heteroatom NOUN 5999n300078 5 26 ( ( PUNCT 5999n300078 5 27 i.e. i.e. X 5999n300078 5 28 al al PROPN 5999n300078 5 29 ) ) PUNCT 5999n300078 5 30 distributions distribution NOUN 5999n300078 5 31 in in ADP 5999n300078 5 32 cha cha NOUN 5999n300078 5 33 and and CCONJ 5999n300078 5 34 to to PART 5999n300078 5 35 predict predict VERB 5999n300078 5 36 al al PROPN 5999n300078 5 37 distributions distribution NOUN 5999n300078 5 38 . . PUNCT 5999n300078 6 1 lastly lastly ADV 5999n300078 6 2 , , PUNCT 5999n300078 6 3 i i PRON 5999n300078 6 4 introduce introduce VERB 5999n300078 6 5 the the DET 5999n300078 6 6 investigation investigation NOUN 5999n300078 6 7 of of ADP 5999n300078 6 8 the the DET 5999n300078 6 9 cu(ii cu(ii NOUN 5999n300078 6 10 ) ) PUNCT 5999n300078 6 11 reduction reduction NOUN 5999n300078 6 12 mechanism mechanism NOUN 5999n300078 6 13 in in ADP 5999n300078 6 14 nox nox NOUN 5999n300078 6 15 scr scr PROPN 5999n300078 6 16 and and CCONJ 5999n300078 6 17 propose propose VERB 5999n300078 6 18 reaction reaction NOUN 5999n300078 6 19 pathways pathway NOUN 5999n300078 6 20 for for ADP 5999n300078 6 21 dimeric dimeric ADJ 5999n300078 6 22 cu(ii cu(ii NOUN 5999n300078 6 23 ) ) PUNCT 5999n300078 6 24 intermediates intermediate NOUN 5999n300078 6 25 being be AUX 5999n300078 6 26 reduced reduce VERB 5999n300078 6 27 in in ADP 5999n300078 6 28 cu cu PROPN 5999n300078 6 29 - - PUNCT 5999n300078 6 30 cha cha NOUN 5999n300078 6 31 . . PUNCT 5999n300078 7 1 our our PRON 5999n300078 7 2 work work NOUN 5999n300078 7 3 bridges bridge VERB 5999n300078 7 4 the the DET 5999n300078 7 5 knowledge knowledge NOUN 5999n300078 7 6 of of ADP 5999n300078 7 7 microscopic microscopic ADJ 5999n300078 7 8 details detail NOUN 5999n300078 7 9 of of ADP 5999n300078 7 10 cu cu PROPN 5999n300078 7 11 cations cation NOUN 5999n300078 7 12 to to ADP 5999n300078 7 13 the the DET 5999n300078 7 14 macroscopic macroscopic ADJ 5999n300078 7 15 composition composition NOUN 5999n300078 7 16 of of ADP 5999n300078 7 17 the the DET 5999n300078 7 18 zeolites zeolite NOUN 5999n300078 7 19 . . PUNCT 5999n300078 8 1 the the DET 5999n300078 8 2 approaches approach NOUN 5999n300078 8 3 used use VERB 5999n300078 8 4 here here ADV 5999n300078 8 5 can can AUX 5999n300078 8 6 be be AUX 5999n300078 8 7 applied apply VERB 5999n300078 8 8 broadly broadly ADV 5999n300078 8 9 to to ADP 5999n300078 8 10 other other ADJ 5999n300078 8 11 zeolites zeolite NOUN 5999n300078 8 12 to to PART 5999n300078 8 13 find find VERB 5999n300078 8 14 optimal optimal ADJ 5999n300078 8 15 zeolite zeolite NOUN 5999n300078 8 16 compositions composition NOUN 5999n300078 8 17 and and CCONJ 5999n300078 8 18 synthesis synthesis NOUN 5999n300078 8 19 conditions condition NOUN 5999n300078 8 20 for for ADP 5999n300078 8 21 catalysis catalysis NOUN 5999n300078 8 22 applications application NOUN 5999n300078 8 23 . . PUNCT