PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 12121100-1 2002 The complexes formed by a variety of anions with perfluoro derivatives of benzene, naphthalene, pyridine, thiophene, and furan have been calculated using DFT (B3LYP/6-31++G**) and MP2 (MP2/6-31++G** and MP2/6-311++G**) ab initio methods. furan 121-126 tryptase pseudogene 1 Homo sapiens 180-183 12121100-1 2002 The complexes formed by a variety of anions with perfluoro derivatives of benzene, naphthalene, pyridine, thiophene, and furan have been calculated using DFT (B3LYP/6-31++G**) and MP2 (MP2/6-31++G** and MP2/6-311++G**) ab initio methods. furan 121-126 tryptase pseudogene 1 Homo sapiens 185-188 12121100-1 2002 The complexes formed by a variety of anions with perfluoro derivatives of benzene, naphthalene, pyridine, thiophene, and furan have been calculated using DFT (B3LYP/6-31++G**) and MP2 (MP2/6-31++G** and MP2/6-311++G**) ab initio methods. furan 121-126 tryptase pseudogene 1 Homo sapiens 185-188 22650151-1 2012 Here the interactions of furan with HZ (Z = CCH, CCF, CN, Cl, and F) are studied using a variety of electron correlation methods (MP2, CCSD(T), DFT-SAPT) and correlation-consistent triple- and quadruple-zeta basis sets including complete basis set (CBS) extrapolation. furan 25-30 tryptase pseudogene 1 Homo sapiens 130-133 21432980-1 2011 The halogen bonding of furan XY and thiophene XY (X=Cl, Br; Y=F, Cl, Br), involving sigma- and pi-type interactions, was studied by using MP2 calculations and quantum theory of "atoms in molecules" (QTAIM) studies. furan 23-28 tryptase pseudogene 1 Homo sapiens 142-145 19719311-7 2009 Earlier G2(MP2) electronic structure calculations predicted that furan will thermally decompose to acetylene, ketene, carbon monoxide, and propyne at lower temperatures. furan 65-70 tryptase pseudogene 1 Homo sapiens 11-14