from first principles PP-I-1

RÖSCH NotkerTechnische Universitaet MuenchenMunichGermanyroesch@mytum.deRUDTSKAYA Elena RobertovnaRFBRMoscowRussiarer@rfbr.ruRUPPRECHTER GüntherVienna University of TechnologyViennaAustriagrupp@imc.tuwien.ac.atSADYKOV Vladislav AlexandrovichBoreskov Institute of Catalysis SB RASNovosibirskRussiasadykov@catalysis.ruSANIEVA Dinara V.St. Petersburg Departmentof the Boreskov Institute of Catalysis SB RASSt.-PetersburgRussiaivanchev@SM2270.spb.eduSANNINO DianaDIIIN -University of SalernoFiscianoItalydsannino@unisa.itSELVAM P.Indian Institute of Technology-MadrasChennaiIndiaselvam@iitm.ac.inSEROV Jury MikhailovichPeoples’ Friendship University of RussiaMoscowRussiajserov@sci.pfu.edu.ruSHESHKO Tatiana FedorovnaPeoples’ Friendship University of RussiaMoscowRussiasheshko@bk.ruSHISHIDO TetsuyaKyoto UniversityKyotoJapanshishido@moleng.kyoto-u.ac.jpSIMAKOVA IrinaBoreskov Institute of Catalysis SB RASNovosibirskRussiasimakova@catalysis.ruSIMAKOVA OlgaÅbo Akademi UniversityTurku/ÅboFinlandosimakov@abo.fiSIMENTSOVA Irina IvanovnaBoreskov Institute of Catalysis SB RASNovosibirskRussiasii@catalysis.ruSINEVA Lilia V.Technological Institute for Superhard andNovel Carbon MaterialsMoscowRussiasinevalv@tisnum.ruSINTYUREVA MarinaThe Heath Business and Technical ParkRuncorn, CheshireWA7 4QX, UKCheshireUKmsintyureva@acalenergy.co.ukSKOBELEV Igor YurievichBoreskov Institute of Catalysis SB RASNovosibirskRussiaskobelev_igor@mail.ruSLOBODOV Alexander ArsenievichSt.Petersburg State Institute of TechnologySt. PetersburgRussiaaslobd@gmail.comSMETANNIKOV Oleg VladimirovichTopchiev Institute of Petrochemical Synthesis RASMoscowRussiasmetannikov@ips.ac.ru334