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Irina Paci, Ph.D. - Publications

Affiliations: 
2003 Queen's University, Canada, Kingston, Ontario, Canada 
Area:
Physical Chemistry
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25 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 McFarlane JMB, Krause K, Paci I. Accelerated Structural Prediction of Flexible Protein-Ligand Complexes: The SLICE Method. Journal of Chemical Information and Modeling. PMID 31693362 DOI: 10.1021/Acs.Jcim.9B00688  0.32
2019 Lindquist NC, de Albuquerque CDL, Sobral-Filho RG, Paci I, Brolo AG. High-speed imaging of surface-enhanced Raman scattering fluctuations from individual nanoparticles. Nature Nanotechnology. PMID 31527841 DOI: 10.1038/S41565-019-0535-6  0.321
2019 Tuca E, Paci I. Structural analysis of helicene molecules adsorbed on symmetric surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 30949648 DOI: 10.1039/C9Cp00284G  0.46
2016 Milosevich N, Gignac MC, McFarlane J, Simhadri C, Horvath S, Daze KD, Croft CS, Dheri A, Quon TT, Douglas SF, Wulff JE, Paci I, Hof F. Selective Inhibition of CBX6: A Methyllysine Reader Protein in the Polycomb Family. Acs Medicinal Chemistry Letters. 7: 139-44. PMID 26985288 DOI: 10.1021/Acsmedchemlett.5B00378  0.346
2016 Ting EC, Popa T, Paci I. Surface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters. Beilstein Journal of Nanotechnology. 7: 53-61. PMID 26925352 DOI: 10.3762/Bjnano.7.6  0.342
2016 Tuca E, Paci I. Fundamental aspects in surface self-assembly: theoretical implications of molecular polarity and shape. Physical Chemistry Chemical Physics : Pccp. 18: 6498-508. PMID 26864632 DOI: 10.1039/C5Cp04479K  0.44
2015 McGovern RE, Snarr BD, Lyons JA, McFarlane J, Whiting AL, Paci I, Hof F, Crowley PB. Structural study of a small molecule receptor bound to dimethyllysine in lysozyme. Chemical Science (Royal Society of Chemistry : 2010). 6: 442-449. PMID 25530835 DOI: 10.1039/C4Sc02383H  0.345
2015 Popa T, Paci I. Structure and chirality in sulfur-containing amino acids adsorbed on Au(111) surfaces Journal of Physical Chemistry C. 119: 9829-9838. DOI: 10.1021/Acs.Jpcc.5B00380  0.448
2014 Popa T, Ting ECM, Paci I. Chiral effects in amino acid adsorption on Au(111): A comparison of cysteine, homocysteine and methionine Surface Science. 629: 20-27. DOI: 10.1016/J.Susc.2014.01.018  0.468
2013 Johnson JC, Akdag A, Zamadar M, Chen X, Schwerin AF, Paci I, Smith MB, Havlas Z, Miller JR, Ratner MA, Nozik AJ, Michl J. Toward designed singlet fission: solution photophysics of two indirectly coupled covalent dimers of 1,3-diphenylisobenzofuran. The Journal of Physical Chemistry. B. 117: 4680-95. PMID 23383860 DOI: 10.1021/Jp310979Q  0.305
2013 Popa T, Paci I. Designing enantioselectivity in chiral self-assembly at a solid substrate: A theoretical study of competing interactions Soft Matter. 9: 7988-7998. DOI: 10.1039/C3Sm50312G  0.498
2013 Chapman CRL, Ting ECM, Kereszti A, Paci I. Self-Assembly of Cysteine Dimers at the Gold Surface: A Computational Study of Competing Interactions Journal of Physical Chemistry C. 117: 19426-19435. DOI: 10.1021/Jp405478N  0.422
2012 Rowan CK, Paci I. Nanoparticle morphology and aspect ratio effects in Ag/PVDF nanocomposites Theoretical Chemistry Accounts. 131: 1078. DOI: 10.1007/S00214-011-1078-6  0.305
2011 Chapman C, Paci I. Behavior of a chemisorbed azobenzene derivative in an STM environment: A DFT study of charged states and electric fields Chemical Physics Letters. 517: 204-210. DOI: 10.1016/J.Cplett.2011.10.047  0.318
2011 Popa T, Paci I. Surface effects in chiral adsorption Chemical Physics Letters. 507: 128-133. DOI: 10.1016/J.Cplett.2011.03.060  0.401
2010 Greyson EC, Stepp BR, Chen X, Schwerin AF, Paci I, Smith MB, Akdag A, Johnson JC, Nozik AJ, Michl J, Ratner MA. Singlet exciton fission for solar cell applications: energy aspects of interchromophore coupling. The Journal of Physical Chemistry. B. 114: 14223-32. PMID 20025238 DOI: 10.1021/Jp909002D  0.339
2010 Chapman CRL, Paci I. Mean-Field Theoretical Study of Bistability in Mixed Azobenzene-Alkylthiol Monolayers Journal of Physical Chemistry C. 114: 2645-2654. DOI: 10.1021/Jp909325D  0.387
2010 Paci I. Resolution of Binary Enantiomeric Mixtures in Two Dimensions Journal of Physical Chemistry C. 114: 19425-19432. DOI: 10.1021/Jp107326C  0.435
2010 Chapman C, Paci I. Conformational Behavior of Chemisorbed Azobenzene Derivatives in External Electric Fields: A Theoretical Study† Journal of Physical Chemistry C. 114: 20556-20563. DOI: 10.1021/Jp104967E  0.366
2007 Paci I, Szleifer I, Ratner MA. Chiral separation: mechanism modeling in two-dimensional systems. Journal of the American Chemical Society. 129: 3545-55. PMID 17338520 DOI: 10.1021/Ja066422B  0.514
2006 DiBenedetto SA, Paci I, Facchetti A, Marks TJ, Ratner MA. High-capacitance organic nanodielectrics: effective medium models of their response. The Journal of Physical Chemistry. B. 110: 22394-9. PMID 17091980 DOI: 10.1021/Jp062096A  0.316
2005 Paci I, Szleifer I, Ratner MA. Structural behavior and self-assembly of Lennard-Jones clusters on rigid surfaces. The Journal of Physical Chemistry. B. 109: 12935-45. PMID 16852606 DOI: 10.1021/Jp0507849  0.314
2004 Paci I, Cann NM. The impact of the multipolar distribution on chiral discrimination in racemates. The Journal of Chemical Physics. 120: 4816-28. PMID 15267342 DOI: 10.1063/1.1645780  0.633
2003 Paci I, Dunford J, Cann NM. Role of achiral interactions on discrimination in racemates The Journal of Chemical Physics. 118: 7519. DOI: 10.1063/1.1562609  0.649
2001 Paci I, Cann NM. The impact of molecular shape and polarity on chiral discrimination The Journal of Chemical Physics. 115: 8489-8505. DOI: 10.1063/1.1401826  0.647
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