Jeffrey Paci*, Irina Paci, Theoretical studies of the reactions between hyperthermal O(3P) and graphite:  holes and the second layer, submitted.

Janessa Li, Rebecca Hof, Chelsea Wilson, Julian Lum, James McFarlane, Tyler Brown, Natalia Milosevich, Irina Paci, Michael Gignac, Lindsay Devorkin, Fraser Hof*, Pan-specific and partially selective dye-labeled peptidic inhibitors of the polycomb paralog proteins, submitted.

James McFarlane* and Irina Paci*, Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method, under revision.

Nathan C. Lindquist, Carlos Diego L. de Albuquerque, Regivaldo G. Sobral-Filho, Irina Paci, Alexandre G. Brolo*, Ultra high-speed single-molecule SERS Fluctuations from Individual Nanoparticles, accepted, Nature Nanotechnology, 2019.

Sijie Wang, Kyle E. Denton, James McFarlane, Kathryn F. Hobbs, Tyler M. Weaver, Katelyn E. Connelly, Michael C. Gignac, Natalia Milosevich, Catherine A. Musselman, Irina Paci, Fraser Hof, Emily C. Dykhuizen, Casey J. Krusemark*, Development of Selective and Cell-permeable CBX8 Chromodomain Ligands using DNA-encoded Libraries, submitted.

Emilian Tuca* and Irina Paci*, Structural Analysis of Helicene Molecules Adsorbed on Symmetric Surfaces, Phys. Chem. Chem. Phys, 21, 9189-9199 (2019), DOI:
10.1039/C9CP00284G (selected for themed issue 2019 PCCP Hot Articles).

Jeffrey T. Paci and Irina Paci, Rapid vaccine development needed to address widespread health risk, The Province OpEd, October 25, 2018.

Jeffrey T. Paci and Irina Paci, Time for an Epstein-Barr virus vaccine, Science Trends, invited contribution, November 29, 2018

Jeffrey T. Paci and Irina Paci*, The time has come for a Phase 3 trial of an Epstein-Barr virus vaccine, Vaccine, 36, 5999-6000 (2018), DOI: 10.1016/j.vaccine.2018.08.035.

David Hally* and Irina Paci*, Low-frequency polarization in molecular-scale noble-metal/metal- oxide nanocomposites, Nanoscale, 10, 9583-9593 (2018), DOI: 10.1039/c8nr00658j.

Eric Janusson, Shaun MacLean, Andrew McDonald, J. Scott McIndoe*, Irina Paci, Orbital shaped standing waves using Chladni plates, submitted.

Emilian Tuca and Irina Paci*, Computer simulations of self-assembled energy materials, Molecular Simulation, 43, 797-807 (2017), DOI: 10.1080/08927022.2017.1306063 (invited paper).

Emilian Tuca and Irina Paci, Fundamental Aspects in Surface Self-Assembly: A Theoretical Study of Polarity and Shape, Phys. Chem. Chem. Phys., 18, 6498-6508 (2016), DOI: 10.1039/ C5CP04479K.

Elvis C. M. Ting, Tatiana Popa and Irina Paci*, Surface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters, Beilstein J. Nanotechnol. 7, 53-61(2016), DOI: 10.3762/bjnano.7.6 (invited paper).

Natalia Milosevich, Michael C. Gignac, James McFarlane, Chakravarthi Simhadri, Shanti Horvath, Kevin D. Daze, Caitlin S. Croft, Aman Dheri, Taylor T. H. Quon, Sarah F. Douglas, Jeremy E. Wulff, Irina Paci*, and Fraser Hof*, Selective Inhibition of CBX6: A Methyllysine Reader Protein in the Polycomb Family, ACS Med. Chem. Lett, 7, 139-144 (2016), DOI: 10.1021/ acsmedchemlett.5b00378.

Tatiana Popa and Irina Paci*, Structure and Chirality in Sulfur-Containing Aminoacids Adsorbed on Au(111) Surfaces, J. Phys. Chem. C, 119, 9829-9838 (2015), DOI: 10.1021/acs.jpcc.5b00380.

Róise E. McGovern, Brendan D. Snarr, Joseph A. Lyons, James McFarlane, Amanda L. Whiting, Irina Paci, Fraser Hof and Peter B. Crowley*, Structural study of a small molecule receptor bound to dimethyllysine in lysozyme, Chem. Sci., 6, 442-449 (2015), DOI: 10.1039/C4SC02383H.

Tatiana Popa, Elvis Ting, Irina Paci*, Chiral effects in aminoacid adsorption on Au(111): A comparison of cysteine, homocysteine and methionine, Surface Science, 629, 20-27 (2014) (Special Issue: Chirality on Surfaces), DOI: 10.1016/j.susc.2014.01.018

Chris Chapman, Elvis Ting, Ashley Kereszti, and Irina Paci*, Self-Assembly of Cysteine Dimers at the Gold Surface: A Computational Study of Competing Interactions, J. Phys. Chem. C, 117, 19426–19435 (2013), DOI: 10.1021/jp405478n

Tatiana Popa, Irina Paci*, Designing enantioselectivity in chiral self-assembly at a solid substrate: a theoretical study of competing interactions, Soft Matter, 9, 7988-7998 (2013), DOI: 10.1039/C3SM50312G

Justin C. Johnson, Akin Akdag, Matibur Zamadar, Xudong Chen, Andrew Schwerin, Irina Paci, Millicent Smith, Zdenek Havlas, John Miller, Mark Ratner, Arthur Nozik, Josef Michl*, Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-Diphenylisobenzofuran, J. Phys. Chem. B, 117, 4680-4695 (2013), DOI: 10.1021/jp310979q

Christopher K. Rowan and Irina Paci*, Nanoparticle morphology and aspect ratio effects in Ag/PVDF nanocomposites, Theoretical Chemistry Accounts, 131, 1078 (2012) (invited paper in the 50th Anniversary Collection on Computational Modeling of Extended Systems), DOI: 10.1007/s00214-011-1078-6

Chris Chapman and Irina Paci*, Behavior of a chemisorbed azobenzene derivative in an STM environment: A DFT study of charged states and electric fields, Chem. Phys. Lett., 517, 204-210 (2011), DOI: 10.1016/j.cplett.2011.10.047

Christopher K. Rowan and Irina Paci*, Optical properties of Ag/polyvinylidene fluoride nanocomposits: a theoretical study, J. Phys. Chem. C, 115, 8316-8324 (2011), DOI: 10.1021/jp200428e

Tatiana Popa and Irina Paci*, Surface effects in chiral adsorption, Chem. Phys. Lett., 507, 128-133 (2011), DOI: 10.1016/j.cplett.2011.03.060

Irina Paci*, Resolution of binary enantiomeric mixtures in two dimensions, J. Phys. Chem. C 114, 19425-19432 (2010), DOI: 10.1021/jp107326c

Chris Chapman and Irina Paci*, Conformational behavior of chemisorbed azobenzene derivatives in external electric fields: A theoretical study, J. Phys. Chem. C 114, 20556-20563 (2010) (invited paper in the Mark Ratner Festschrift), DOI: 10.1021/jp104967e

Christopher R. L. Chapman and Irina Paci*, Mean field theoretical study of bistability in mixed azobenzene-alkylthiol monolayers, J. Phys. Chem. C., 114, 2645-2654 (2010), DOI 10.1021/jp909325d

Eric C. Greyson, Brian R. Stepp, Xudong Chen, Andrew F. Schwerin, Irina Paci, Millicent B. Smith, Akin Akdag, Justin C. Johnson, Arthur J. Nozik, Josef Michl and Mark A. Ratner*, Singlet Exciton Fission for Solar Cell Applications: Inter-Chromophore Coupling, J. Phys. Chem. B, 114, 14223-14232 (2010) (part of the Michael R. Wasielewski Festschrift), DOI: 10.1021/jp909002d

Andrew F. Schwerin, Justin C. Johnson, Millicent B. Smith, Paiboon Sreearunothai, Duska Popovic, Jiri Cherni, Zdenek Havlas, Irina Paci, Akin Akdag, Matthew K. MacLeod, Xudong Chen, Donald E. David, Mark A. Ratner, John R. Miller, Arthur J. Nozik, and Josef Michl, Toward Designed Singlet Fission: Electronic States and Photophysics of 1,3-Diphenylisobenzofuran, J. Phys. Chem. A, 114, 1457-1473 (2010) (part of the W. Carl Lineberger Festschrift), DOI: 10.1021/jp907401t

Irina Paci*, Igal Szleifer and Mark A. Ratner, Chirality on Surfaces: Modeling and Behaviour, Chemistry Today:Chimica Oggi, 25, 17-20 (2007) (invited mini-review),

Irina Paci*, Igal Szleifer and Mark A. Ratner, Chiral resolution in two dimensional racemic systems, J. Am. Chem. Soc., 129, 3545-3555 (2007), DOI: 10.1021/ja066422b

Irina Paci, Justin C. Johnson, Xudong Chen, Geeta Rana, Duska Popovic, Donald E. David, Arthur J. Nozik, Mark A. Ratner and Josef Michl*, Singlet Fission for Dye Sensitized Solar Cells: Can a Suitable Sensitizer Be Found?, J. Am. Chem. Soc., 128, 16546-16553 (2006), DOI: 10.1021/ja063980h

Sara A. DiBenedetto, Irina Paci, Antonio Facchetti, Tobin J. Marks, and Mark A. Ratner, High-Capacitance Organic Nanodielectrics: Effective Medium Models of Their Response, J. Phys. Chem. B. 110, 22394 (2006), DOI: 10.1021/jp062096a

Irina Paci*, Igal Szleifer and Mark A. Ratner, Structural behavior and self-assembly of Lennard-Jones clusters on rigid surfaces, J. Phys. Chem. B, 109, 12935 (2005), DOI: 10.1021/jp0507849

I. Paci and N. M. Cann*, The impact of the multipolar distribution on chiral discrimination in racemates, J. Chem. Phys. 120, 4816 (2004).

I. Paci and N. M. Cann*, Integral equation theories for orientationally ordered fluids, J. Chem. Phys. 119, 2638 (2003).

I. Paci, J. Dunford and N. M. Cann*, Role of achiral interactions on discrimination in racemates, J. Chem. Phys. 118, 7519 (2003).

I. Paci and N. M. Cann*, The impact of molecular shape and polarity on chiral discrimination, J. Chem. Phys. 115, 8489 (2001).

L. Odochian*, I. Calugareanu (Paci), O. Vicol, A. Barzu, Study on the nature of crystallization water through the compensation effect from thermogravimetric data, Revue Roumaine de Chimie 45, 227 (2000).

L. Odochian*, D. M. Pantea, I. Calugareanu (Paci), D. Ionescu, O. Vicol, On the nature of crystallization water using thermal analysis. The application to some hydrates with different cations J. Serb. Chem. Soc., 64, 737 (1999).

L. Odochian*, N. Secareanu, I. Calugareanu (Paci) On the Nature of Crystallyzation Water Through DTA for Some Mg Hydrates. The Scientific Annals of The “Alexandru Ioan Cuza” University, Iasi, Romania. IV. Chemistry: 35-42 (1996).