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22468969,20593856,17711267,17260977,19681629,16480301,30758204,20200737,12569465,21446658,23305519,23672431,19746962,19496593,21241094,19610595,18181589,23600331,21446707,22390714,19053235,22394280,22116319,21355622,27711836,16913688,19883042,20151737,22813206,22545789,26866464,22239650,21465038,29608299,17786912,19772299,19603772,22249506,23165625,19397309,18357589,20345144,17226830,17391012,28072538,20394350,19123915,17612738,15751108,24852070,16640381,17929788,31584059,21952915,20617793,21919447,25180830,20715882,17696501,14634995,16851988,16834124,21797203,18540662,16220963,19228051,22779591,23108328,21279199,22692370,21261317,22494036,19551200,19044817,18537416,16833645,12116390,17511431,17253662,20485775,16833949,22497458,18327927,20831317,22126589,23590522,16789782,22385279,25238644,24366002,20380410,21437304,19231829,17238169,15836215,19330782,22394380,15038283,15920631,17539610,21850308,16834118,17722898,30071619,20397708,33205982,21302561,30358991,22650318,22356198,33876944,35138856,22524192,32179880,22250995,22782670,22339468,36905386,33885117,23294186,25084134,22530645,29117681,23126232,23126300,28894870,29722390,32396376,31192595,24588171,32862648,30852895,32118435,32924506,31566374,22934735,31322639,22946999,22582767,11890830,22571803,25207959,35542549,26457393,34963950,20449356,23656398,28088866,16633622,17685593,25762412,26641907,23590552,30984935,22534197,23225376,25917234,22591164,23138779,30099310,32432475,18924221,23755876,21615175,28735893,33687383,23223355,23495920,22744650,25354358,30299558,25406399,24880289,22830521,36227270,32650175,22229734,26627026,34767677,31984286,29771518,22429068,35297923,23183719,32339900,21956874,22678346,26014897,29210996,26923612,22998396,21073224,26536041,23125032,26307696,34813343,23682723,34027937,24496403,26278956,23320687,26201548,26413728,30484647,24483837,26602503,25422849,25116460,30938059,25871634,27997191,23837601,32299215,25320837,25036110,25566585,29331729,29892732,22564163,26627028,23215026,25710388,36974772,28199110,10814099,26395702,22616768,33929861,31772216,22998433,11877993,29771540,23199339,25648200,29095614,24325333,31647657,24088057,26722791,25608038,22903308,25978112,31502844,35423086,32202794,26381362,22559842,24588097,29134219,31347629,36214286,32996974,23108701,24650362,30188552,36303717,28885843,34498882,15006513,27116256,32557062,22198769,36511526,31637385,26625195,25752687,25271969,24524187,28225281,30311927,34223848,28537287,25806373,22050372,35547632,34374546,22485200,22651220,26261966,24668925,18931864,32164407,30556072,30357171,25145605,24901213,22916997,24852311,18023845,23903751,30474093,22686539,29529361,11877987,27228731,25629305,20555670,28195729,27253670,23958859,11667229,32415545,31599891,28789553,34672597,11878007,22889439,27504785,24093491,24354452,28702614,25765371,30803230,16599439,21302547,25420011,26288318,26757618,34323493,20149680,26086435,19423896,23889341,23181312,25090229,36480943,31576858,22368318,36723173,25347001,22900920,31692346,29299932,21365226,25540469,12197748,25860092,22591104,31681937,22180888,23106516,32632199,27583646,26503638,28703823,17298043,24661002,25026168,26859159,35541246,29533404,35519771,25985181,22480140,33523847,24214352,31194547,23232557,26252869,27046018,31647649,25637986,19170577,35427137,12423121,32543200,22827046,34165136,22893922,26627428,30092642,30785151,24646186,11304194,35516180,28090768,31482662,11205008,22689621,24567153,19810328,24679132,22800614,11878008,28704998,22578556,34132092,33829792,22844992,25560388,32706010,26655248,26263320,30902010,36669093,25532320,27778499,25894330,23742478,25076054,35619471,24953850,32057058,28504798,11300911,31653887,22692722,36655590,30274243,30931458,26621433,11671323,29614222,33491705,29224344,29763570,33826842,26799641,17064006,11666627,36193791,29518339,24227749,26954251,11456519,20349355,25481143,31139618,27788324,30501195,36745864,28690343,23560686,22715748,35516412,26931444,32242320,35796501,26298136,21050018,33320001,27781351,15103101,27827491,35036732,24917363,29082409,22735260,31192603,12465185,19534542,22747333,35539902,29717871,25419897,20110900,31287684,30320321,34786768,34612384,11671627,29457810,35302775,12926393,19660964,24369824,34605134,27545312,26174310,29804457,35302151,28364310,19791380,28406634,25302382,30190399,26230141,29738670,11559181,11219688,23697921,27711652,26845620,11667484,11877989,15103098,22639943,28248502,26619983,31675234,12574492,23514452,19772324,25587630,23028154,10643636,11671743,10835311,25521111,19423902,36524679,11196912,26264421,24191702,26434394,11304178,26061287,28344372,32463233,23703707,35822523,30710434,32292975,11681956,11667575,32567312,34723041,35467858,19630020,26841339,22770493,28492684,23126709,24945977,22097862,36813715,34784469,31089178,30175352,26463366,24279867,24168676,27796782,20577496,34342447,31244121,32329343,12444636,24651201,34958581,11878004,31681892,24760762,25907421,24721128,30411097,30525172,16592384,34642345,27250442,30482015,31459789,27619520,33332670,34257463,24169637,11735593,33325236,25695734,11670094,30247904,29191021,35581204,31150245,10894396,26371960,30902009,23625094,22904694,31824014,12227789,26575961,26463227,16591959,29390841,10769871,26179245,25814021,33856798,17374172[uid]

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Reaction of phenyl radical with propylene as a possible source of indene and other polycyclic aromatic hydrocarbons: an ab initio/RRKM-ME study.

Kislov VV, Mebel AM, Aguilera-Iparraguirre J, Green WH. Kislov VV, et al. J Phys Chem A. 2012 Apr 26;116(16):4176-91. doi: 10.1021/jp212338g. Epub 2012 Apr 13. J Phys Chem A. 2012. PMID: 22468969

Ab initio/RRKM-ME study on the mechanism and kinetics of the reaction of phenyl radical with 1,2-butadiene.

Kislov VV, Mebel AM. Kislov VV, et al. J Phys Chem A. 2010 Jul 29;114(29):7682-92. doi: 10.1021/jp911604f. J Phys Chem A. 2010. PMID: 20593856

The formation of naphthalene, azulene, and fulvalene from cyclic C5 species in combustion: an ab initio/RRKM study of 9-H-fulvalenyl (C5H5-C5H4) radical rearrangements.

Kislov VV, Mebel AM. Kislov VV, et al. J Phys Chem A. 2007 Sep 27;111(38):9532-43. doi: 10.1021/jp0732099. Epub 2007 Aug 21. J Phys Chem A. 2007. PMID: 17711267

Ab initio G3-type/statistical theory study of the formation of indene in combustion flames. I. Pathways involving benzene and phenyl radical.

Kislov VV, Mebel AM. Kislov VV, et al. J Phys Chem A. 2007 May 17;111(19):3922-31. doi: 10.1021/jp067135x. Epub 2007 Jan 30. J Phys Chem A. 2007. PMID: 17260977

Can the C(5)H(5) + C(5)H(5) --> C(10)H(10) --> C(10)H(9) + H/C(10)H(8) + H(2) reaction produce naphthalene? An Ab initio/RRKM study.

Mebel AM, Kislov VV. Mebel AM, et al. J Phys Chem A. 2009 Sep 10;113(36):9825-33. doi: 10.1021/jp905931j. J Phys Chem A. 2009. PMID: 19681629

Potential energy surface and product branching ratios for the reaction of dicarbon, C(2)(X(1)Sigma(g)(+)), with methylacetylene, CH(3)CCH(X(1)A(1)): an ab initio/RRKM study.

Mebel AM, Kislov VV, Kaiser RI. Mebel AM, et al. J Phys Chem A. 2006 Feb 23;110(7):2421-33. doi: 10.1021/jp054309m. J Phys Chem A. 2006. PMID: 16480301

Theoretical Study of the Reaction Mechanism and Kinetics of the Phenyl + Allyl and Related Benzyl + Vinyl Associations.

Morozov AN, Mebel AM. Morozov AN, et al. J Phys Chem A. 2019 Mar 7;123(9):1720-1729. doi: 10.1021/acs.jpca.9b00345. Epub 2019 Feb 25. J Phys Chem A. 2019. PMID: 30758204

An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene.

Jamal A, Mebel AM. Jamal A, et al. Phys Chem Chem Phys. 2010 Mar 20;12(11):2606-18. doi: 10.1039/b920977h. Epub 2010 Jan 27. Phys Chem Chem Phys. 2010. PMID: 20200737

An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm.

Lee HY, Kislov VV, Lin SH, Mebel AM, Neumark DM. Lee HY, et al. Chemistry. 2003 Feb 3;9(3):726-40. doi: 10.1002/chem.200390081. Chemistry. 2003. PMID: 12569465

Thermal decomposition of ethanol. 4. Ab initio chemical kinetics for reactions of H atoms with CH3CH2O and CH3CHOH radicals.

Xu ZF, Xu K, Lin MC. Xu ZF, et al. J Phys Chem A. 2011 Apr 21;115(15):3509-22. doi: 10.1021/jp110580r. Epub 2011 Mar 29. J Phys Chem A. 2011. PMID: 21446658

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