PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 26700190-4 2016 The binding energy of CH3CN to the naphthalene cation (11 kcal mol(-1)) is larger than that of HCN (7 kcal mol(-1)) due to a stronger ion-dipole interaction resulting from the large dipole moment of CH3CN (3.9 D). dipole 138-144 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 95-98 26700190-4 2016 The binding energy of CH3CN to the naphthalene cation (11 kcal mol(-1)) is larger than that of HCN (7 kcal mol(-1)) due to a stronger ion-dipole interaction resulting from the large dipole moment of CH3CN (3.9 D). dipole 182-188 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 95-98 24715469-5 2014 We show herein through the use of electronic structure studies and molecular simulations that the reduction of the nitrile bond of HCN is initiated through the formation of a molecular dipole-bound anion from the photoredox reagent. dipole 185-191 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 131-134 24715469-6 2014 Our theoretical studies show how HCN binds to the photoexcited reagent and then extracts an electron from the reagent and is ultimately detached as a dipole-bound anion. dipole 150-156 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 33-36 24715469-7 2014 The dipole-bound anionic form of [HCN](-) can easily convert into a solvated valence-bound form of [HCN](-). dipole 4-10 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 34-37 24715469-7 2014 The dipole-bound anionic form of [HCN](-) can easily convert into a solvated valence-bound form of [HCN](-). dipole 4-10 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 100-103 26247540-1 2015 The influence of the spatial confinement on the electronic and vibrational contributions to longitudinal electric-dipole properties of model linear molecules including HCN, HCCH and CO2 is discussed. dipole 114-120 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 168-171 22671581-2 2013 The binding energy of CH(3)CN to the benzene cation (14 kcal/mol) is stronger than that of HCN (9 kcal/mol) mostly due to a stronger ion-dipole interaction because of the large dipole moment of acetonitrile (3.9 D). dipole 137-143 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 91-94 23020320-4 2012 Since HCN is a strong polar molecule, further dipole-induced excitations have been calculated in the framework of the first Born approximation and employing a transformation to a space-fixed reference frame of the calculated K-matrix elements. dipole 46-52 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 6-9 15260733-2 2004 The approach is applied to calculate the cross sections for photodetachment of dipole-bound electrons from HCN(-) and HNC(-). dipole 79-85 metastasis associated lung adenocarcinoma transcript 1 Homo sapiens 107-110