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A polarization type basis set for second-row elements","volume":"77","author":"MM Francl","year":"1982","journal-title":"J Chem Phys"},{"key":"pone.0217665.ref040","volume-title":"Scuseria GE Theory and Applications of Computational Chemistry The First Fourty Years","author":"CE Dykstra","year":"2005"},{"key":"pone.0217665.ref041","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","article-title":"Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density","volume":"37","author":"C Lee","year":"1988","journal-title":"Phys Rev B: Condens Matter"},{"key":"pone.0217665.ref042","doi-asserted-by":"crossref","first-page":"9103","DOI":"10.1063\/1.1412875","article-title":"A practical method for the use of curvilinear coordinates in calculations of normal-mode-projected displacements and Duschinsky rotation matrices for large molecules","volume":"115","author":"JR Reimers","year":"2001","journal-title":"J Chem Phys"},{"key":"pone.0217665.ref043","first-page":"2362","article-title":"Nobel prizes for medicine and chemistry 1978. 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Jortner","year":"1976","journal-title":"J Chem Phys"},{"key":"pone.0217665.ref061","doi-asserted-by":"crossref","first-page":"627","DOI":"10.1002\/poc.610061106","article-title":"Structure-odor relations for bitter almond odorants","volume":"6","author":"D Zakarya","year":"1993","journal-title":"J phys Org Chem"},{"key":"pone.0217665.ref062","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/S0022-0728(97)00023-5","article-title":"Electron transfer via a midway molecule as seen in primary processes in photosynthesis: Superexchange or sequential, or unified?","volume":"438","author":"H Sumi","year":"1997","journal-title":"J Electroanal Chem"},{"key":"pone.0217665.ref063","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1007\/s007750050226","article-title":"Ulstrup,Sequential and coherent long-range electron transfer close to resonance with intermediate bridge groups, and new perspectives for in situ scanning tunnelling microscopy of adsorbed metalloproteins","volume":"3","author":"G Iversen","year":"1998","journal-title":"J J Biol InorgChem"},{"key":"pone.0217665.ref064","doi-asserted-by":"crossref","first-page":"10468","DOI":"10.1063\/1.478976","article-title":"Electron transfer in three-center chemical systems","volume":"110","author":"LD Zusman","year":"1999","journal-title":"J Chem Phys"},{"key":"pone.0217665.ref065","doi-asserted-by":"crossref","first-page":"5154","DOI":"10.1063\/1.474878","article-title":"Electron Transfer via Bridges","volume":"107","author":"M Bixon","year":"1997","journal-title":"J Chem Phys"},{"key":"pone.0217665.ref066","doi-asserted-by":"crossref","first-page":"7107","DOI":"10.1063\/1.1404389","article-title":"Nonadiabatic donor-acceptor electron transfer mediated by a molecular bridge: A unified theoretical description of the superexchange and hopping mechanism","volume":"115","author":"EG Petrov","year":"2001","journal-title":"J Chem Phys"},{"key":"pone.0217665.ref067","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1016\/S0009-2614(96)00142-X","article-title":"Electron transfer via a midway molecule as seen in primary processes in photosynthesis; a new process describable as superexchange or sequential in mutually opposite limits","volume":"252","author":"H Sumi","year":"1996","journal-title":"Chem Phys Lett"},{"key":"pone.0217665.ref068","doi-asserted-by":"crossref","first-page":"196804","DOI":"10.1103\/PhysRevLett.106.196804","article-title":"Conductance and vibrational states of single-molecule junctions controlled by mechanical stretching and material variation","volume":"106","author":"Y Kim","year":"2011","journal-title":"Phys Rev Lett"},{"key":"pone.0217665.ref069","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1021\/nl049871n","article-title":"Vibronic Contributions to Charge Transport Across Molecular Junctions","volume":"4","author":"JG Kushmerick","year":"2004","journal-title":"Nano Letters"},{"key":"pone.0217665.ref070","doi-asserted-by":"crossref","first-page":"1551","DOI":"10.1021\/nl050789h","article-title":"First-Principles Simulations of Inelastic Electron Tunneling Spectroscopy of Molecular Electronic Devices","author":"J Jiang","year":"2005","journal-title":"Nano Lett"},{"key":"pone.0217665.ref071","doi-asserted-by":"crossref","first-page":"14255","DOI":"10.1073\/pnas.0704208104","article-title":"Tracing electronic pathways in molecules by using inelastic tunneling spectroscopy","volume":"104","author":"A Troisi","year":"2007","journal-title":"Proc Natl Acad Sci U S A"},{"key":"pone.0217665.ref072","doi-asserted-by":"crossref","first-page":"226604","DOI":"10.1103\/PhysRevLett.100.226604","article-title":"Unified description of inelastic propensity rules for electron transport through nanoscale junctions","volume":"100","author":"M Paulsson","year":"2008","journal-title":"Phys Rev Lett"},{"key":"pone.0217665.ref073","first-page":"6645","article-title":"A quantitative analysis of the inelastic electron tunnelling spectrum of the formate ion","volume":"C","author":"AK Sleigh","year":"1986","journal-title":"J Phys"},{"key":"pone.0217665.ref074","doi-asserted-by":"crossref","first-page":"4860","DOI":"10.1021\/ja044946a","article-title":"Superexchange and sequential mechanisms in charge transfer with a mediating state between the donor and acceptor","volume":"127","author":"BP Paulson","year":"2005","journal-title":"J Am Chem Soc"},{"key":"pone.0217665.ref075","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1016\/0301-0104(95)00168-N","article-title":"A kinetic analysis of the primary charge separation in bacterial photosynthesis. Energy gaps and static heterogeneity","volume":"197","author":"M Bixon","year":"1995","journal-title":"Chem Phys"},{"key":"pone.0217665.ref076","doi-asserted-by":"crossref","first-page":"1054","DOI":"10.1124\/jpet.106.117507","article-title":"Functional selectivity of hallucinogenic phenethylamine and phenylisopropylamine derivatives at human 5-hydroxytryptamine (5-HT)2A and 5-HT2C receptors","volume":"321","author":"PR Moya","year":"2007","journal-title":"J Pharmacol Exp Ther"},{"key":"pone.0217665.ref077","doi-asserted-by":"crossref","first-page":"e9019","DOI":"10.1371\/journal.pone.0009019","article-title":"Psychedelics and the human receptorome","volume":"5","author":"TS Ray","year":"2010","journal-title":"PLoS One"},{"key":"pone.0217665.ref078","doi-asserted-by":"crossref","first-page":"2320","DOI":"10.1021\/acs.jpclett.8b00704","article-title":"Can the Electron-Accepting Properties of Odorants Be Involved in Their Recognition by the Olfactory System?","volume":"9","author":"SA Pshenichnyuk","year":"2018","journal-title":"J Phys Chem Lett"},{"key":"pone.0217665.ref079","author":"LG Christophorou","year":"1984","journal-title":"Electron-Molecule Interactions and Their Applications"},{"key":"pone.0217665.ref080","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-662-07383-4","volume-title":"Gaseous Molecular Ions","author":"E Illenberger","year":"1992"},{"key":"pone.0217665.ref081","doi-asserted-by":"crossref","first-page":"20160822","DOI":"10.1098\/rspa.2016.0822","article-title":"Quantum effects in biology: golden rule in enzymes, olfaction, photosynthesis and magnetodetection","volume":"473","author":"JC Brookes","year":"2017","journal-title":"Proc Math Phys Eng Sci"},{"key":"pone.0217665.ref082","doi-asserted-by":"crossref","first-page":"713","DOI":"10.1016\/S0092-8674(00)80581-4","article-title":"Combinatorial receptor codes for odors","volume":"96","author":"B Malnic","year":"1999","journal-title":"Cell"},{"key":"pone.0217665.ref083","doi-asserted-by":"crossref","first-page":"E3154","DOI":"10.1073\/pnas.1508035112","article-title":"Plausibility of the vibrational theory of olfaction","volume":"112","author":"L Turin","year":"2015","journal-title":"Proc Natl Acad Sci U S A"},{"key":"pone.0217665.ref084","first-page":"181","article-title":"Odor cannot be predicted by molecular shape","volume":"34","author":"C Sell","year":"2009","journal-title":"Chem Senses"},{"key":"pone.0217665.ref085","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1002\/cbdv.200890101","article-title":"Odorant-receptor interactions and odor percept: a chemical perspective","volume":"5","author":"A Triller","year":"2008","journal-title":"Chem Biodivers"},{"key":"pone.0217665.ref086","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1038\/nrn2789","article-title":"Olfactory signalling in vertebrates and insects: differences and commonalities","volume":"11","author":"UB Kaupp","year":"2010","journal-title":"Nat Rev Neurosci"},{"key":"pone.0217665.ref087","doi-asserted-by":"crossref","first-page":"1973","DOI":"10.1242\/jeb.023036","article-title":"Smelling the difference: controversial ideas in insect olfaction","volume":"212","author":"M Pellegrino","year":"2009","journal-title":"J Exp Biol"},{"key":"pone.0217665.ref088","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1021\/cr4003769","article-title":"Microbial and animal rhodopsins: structures, functions, and molecular mechanisms","volume":"114","author":"OP Ernst","year":"2014","journal-title":"Chem Rev"},{"key":"pone.0217665.ref089","doi-asserted-by":"crossref","first-page":"891","DOI":"10.1126\/science.261.5123.891","article-title":"Protein catalysis of the retinal subpicosecond photoisomerization in the primary process of bacteriorhodopsin photosynthesis","volume":"261","author":"L Song","year":"1993","journal-title":"Science"},{"key":"pone.0217665.ref090","doi-asserted-by":"crossref","first-page":"917","DOI":"10.1126\/science.1111482","article-title":"Probing the ultrafast charge translocation of photoexcited retinal in bacteriorhodopsin","volume":"309","author":"S Schenkl","year":"2005","journal-title":"Science"},{"key":"pone.0217665.ref091","doi-asserted-by":"crossref","first-page":"4101","DOI":"10.1073\/pnas.0506303103","article-title":"Insights into excited-state and isomerization dynamics of bacteriorhodopsin from ultrafast transient UV absorption","volume":"103","author":"S Schenkl","year":"2006","journal-title":"Proc Natl Acad Sci U S A"},{"key":"pone.0217665.ref092","doi-asserted-by":"crossref","first-page":"222","DOI":"10.1002\/jcc.20496","article-title":"Pair interaction energy decomposition analysis","volume":"28","author":"DG Fedorov","year":"2007","journal-title":"J Comput Chem"},{"key":"pone.0217665.ref093","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1021\/acs.jpca.7b12000","article-title":"Pair Interaction Energy Decomposition Analysis for Density Functional Theory and Density-Functional Tight-Binding with an Evaluation of Energy Fluctuations in Molecular Dynamics","volume":"122","author":"DG Fedorov","year":"2018","journal-title":"J Phys Chem A"},{"key":"pone.0217665.ref094","doi-asserted-by":"crossref","first-page":"074111","DOI":"10.1063\/1.4790616","article-title":"Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides","volume":"138","author":"MC Green","year":"2013","journal-title":"J Chem Phys"},{"key":"pone.0217665.ref095","doi-asserted-by":"crossref","first-page":"3177","DOI":"10.1039\/C4CS00375F","article-title":"Energy decomposition analysis approaches and their evaluation on prototypical protein-drug interaction patterns","volume":"44","author":"MJ Phipps","year":"2015","journal-title":"Chem Soc Rev"},{"key":"pone.0217665.ref096","doi-asserted-by":"crossref","first-page":"632","DOI":"10.1021\/cr200093j","article-title":"Fragmentation methods: a route to accurate calculations on large systems","volume":"112","author":"MS Gordon","year":"2012","journal-title":"Chem Rev"},{"key":"pone.0217665.ref097","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1021\/acs.jcim.5b00644","article-title":"The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions","volume":"56","author":"A Heifetz","year":"2016","journal-title":"J Chem Inf Model"}],"container-title":["PLOS 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