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Carlos H. Borca, Ph.D. - Publications

Affiliations: 
2012-2017 Chemistry Purdue University, West Lafayette, IN, United States 
Area:
Effective Fragment Potential
Website:
http://carlosborca.github.io
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21 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
2023 Borca CH, Glick ZL, Metcalf DP, Burns LA, Sherrill CD. Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion. The Journal of Chemical Physics. 158. PMID 37318167 DOI: 10.1063/5.0159410  0.684
2023 Sargent CT, Metcalf DP, Glick ZL, Borca CH, Sherrill CD. Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods. The Journal of Chemical Physics. 158: 054112. PMID 36754814 DOI: 10.1063/5.0141872  0.687
2022 Tamasi MJ, Patel RA, Borca CH, Kosuri S, Mugnier H, Upadhya R, Murthy NS, Webb MA, Gormley AJ. Machine Learning on a Robotic Platform for the Design of Polymer-Protein Hybrids. Advanced Materials (Deerfield Beach, Fla.). e2201809. PMID 35593444 DOI: 10.1002/adma.202201809  0.555
2022 Kosuri S, Borca CH, Mugnier H, Tamasi M, Patel RA, Perez I, Kumar S, Finkel Z, Schloss R, Cai L, Yarmush ML, Webb MA, Gormley AJ. Machine-Assisted Discovery of Chondroitinase ABC Complexes toward Sustained Neural Regeneration. Advanced Healthcare Materials. e2102101. PMID 35112508 DOI: 10.1002/adhm.202102101  0.565
2021 Smith DGA, Lolinco AT, Glick ZL, Lee J, Alenaizan A, Barnes TA, Borca CH, Di Remigio R, Dotson DL, Ehlert S, Heide AG, Herbst MF, Hermann J, Hicks CB, Horton JT, et al. Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of Chemical Physics. 155: 204801. PMID 34852489 DOI: 10.1063/5.0059356  0.53
2021 Alenaizan A, Borca CH, Karunakaran SC, Kendall AK, Stubbs G, Schuster GB, Sherrill CD, Hud NV. X-ray Fiber Diffraction and Computational Analyses of Stacked Hexads in Supramolecular Polymers: Insight into Self-Assembly in Water by Prospective Prebiotic Nucleobases. Journal of the American Chemical Society. PMID 33852800 DOI: 10.1021/jacs.0c12010  0.489
2021 Wilson VR, Mugheirbi NA, Mosquera-Giraldo LI, Deac A, Moseson DE, Smith DT, Novo DC, Borca CH, Slipchenko LV, Edgar KJ, Taylor LS. Interaction of Polymers with Enzalutamide Nanodroplets-Impact on Droplet Properties and Induction Times. Molecular Pharmaceutics. PMID 33539105 DOI: 10.1021/acs.molpharmaceut.0c00833  0.594
2020 Mosquera MA, Jones LO, Borca CH, Ratner MA, Schatz GC. Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations. The Journal of Physical Chemistry. A. PMID 32543853 DOI: 10.1021/Acs.Jpca.0C03596  0.349
2019 Borca CH, Bakr BW, Burns LA, Sherrill CD. CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelism. The Journal of Chemical Physics. 151: 144103. PMID 31615262 DOI: 10.1063/1.5120520  0.592
2019 Mosquera MA, Jones LO, Borca CH, Ratner MA, Schatz GC. Domain Separation in Density Functional Theory. The Journal of Physical Chemistry. A. PMID 31075203 DOI: 10.1021/Acs.Jpca.9B01173  0.306
2019 Huang T, Larrain FA, Borca CH, Fuentes-Hernandez C, Yan H, Schneider SA, Chou W, Rodriguez-Toro VA, Steinrück H, Cao C, Sherrill CD, Kippelen B, Toney MF. Morphology of Organic Semiconductors Electrically Doped from Solution Using Phosphomolybdic Acid Chemistry of Materials. 31: 6677-6683. DOI: 10.1021/Acs.Chemmater.9B01069  0.471
2018 Mosquera-Giraldo LI, Borca CH, Parker AS, Dong Y, Edgar KJ, Beaudoin SP, Slipchenko LV, Taylor LS. Crystallization Inhibition Properties of Cellulose Esters and Ethers for a Group of Chemically Diverse Drugs - Experimental and Computational Insight. Biomacromolecules. PMID 30376299 DOI: 10.1021/Acs.Biomac.8B01280  0.629
2018 Mugheirbi N, Mosquera-Giraldo LI, Borca CH, Slipchenko LV, Taylor LS. Phase Behavior of Drug-Hydroxypropyl Methylcellulose Amorphous Solid Dispersions Produced from Various Solvent Systems: Mechanistic Understanding of the Role of Polymer using Experimental and Theoretical Methods. Molecular Pharmaceutics. PMID 29874454 DOI: 10.1021/Acs.Molpharmaceut.8B00324  0.593
2017 Tyler SF, Judkins EC, Morozov D, Borca CH, Slipchenko LV, McMillin DR. To Be or Not To Be Symmetric: That Is the Question for Potentially Active Vibronic Modes Journal of Chemical Education. 94: 1232-1237. DOI: 10.1021/Acs.Jchemed.7B00289  0.574
2016 Mosquera-Giraldo LI, Borca CH, Meng X, Edgar KJ, Slipchenko LV, Taylor LS. Mechanistic Design of Chemically Diverse Polymers with Applications in Oral Drug Delivery. Biomacromolecules. PMID 27715018 DOI: 10.1021/Acs.Biomac.6B01156  0.638
2016 Borca CH, Slipchenko LV, Wasserman A. Ground-State Charge Transfer: Lithium-Benzene and the Role of Hartree-Fock Exchange. The Journal of Physical Chemistry. A. PMID 27661445 DOI: 10.1021/Acs.Jpca.6B09014  0.558
2016 Mosquera MA, Borca CH, Ratner MA, Schatz GC. Connection Between Hybrid Functionals and Importance of the Local Density Approximation. The Journal of Physical Chemistry. A. PMID 26901359 DOI: 10.1021/Acs.Jpca.5B10864  0.306
2016 Xiong F, Borca CH, Slipchenko LV, Shepson PB. Photochemical Degradation of Isoprene-derived 4,1-Carbonyl Nitrate Atmospheric Chemistry and Physics. 1-40. DOI: 10.5194/Acp-2016-74  0.556
2016 Xiong F, Borca CH, Slipchenko LV, Shepson PB. Photochemical degradation of isoprene-derived 4,1-nitrooxy enal Atmospheric Chemistry and Physics. 16: 5595-5610. DOI: 10.5194/Acp-16-5595-2016  0.57
2016 Rindelaub JD, Borca CH, Hostetler MA, Slade JH, Lipton MA, Slipchenko LV, Shepson PB. The acid-catalyzed hydrolysis of an α-pinene-derived organic nitrate: kinetics, products, reaction mechanisms, and atmospheric impact Atmospheric Chemistry and Physics. 16: 15425-15432. DOI: 10.5194/Acp-16-15425-2016  0.569
2016 Li N, Mosquera-Giraldo LI, Borca CH, Ormes JD, Lowinger M, Higgins JD, Slipchenko LV, Taylor LS. A Comparison of the Crystallization Inhibition Properties of Bile Salts Crystal Growth & Design. 16: 7286-7300. DOI: 10.1021/Acs.Cgd.6B01470  0.606
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