Year |
Citation |
Score |
2021 |
Epifanovsky E, Gilbert ATB, Feng X, Lee J, Mao Y, Mardirossian N, Pokhilko P, White AF, Coons MP, Dempwolff AL, Gan Z, Hait D, Horn PR, Jacobson LD, Kaliman I, ... ... Goldey M, et al. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801. PMID 34470363 DOI: 10.1063/5.0055522 |
0.505 |
|
2018 |
Wu Q, Zhao D, Goldey MB, Filatov AS, Sharapov V, Colon YJ, Cai Z, Chen W, de Pablo JJ, Galli G, Yu L. Intra-molecular Charge Transfer and Electron Delocalization in Non-Fullerene Organic Solar Cells. Acs Applied Materials & Interfaces. PMID 29498504 DOI: 10.1021/Acsami.7B18717 |
0.345 |
|
2017 |
Goldey MB, Brawand NP, Vörös M, Galli G. Charge Transport in Nanostructured Materials: Implementation and Verification of Constrained Density Functional Theory. Journal of Chemical Theory and Computation. PMID 28426221 DOI: 10.1021/Acs.Jctc.7B00088 |
0.376 |
|
2017 |
Brawand NP, Goldey MB, Vörös M, Galli G. Defect States and Charge Transport in Quantum Dot Solids Chemistry of Materials. 29: 1255-1262. DOI: 10.1021/Acs.Chemmater.6B04631 |
0.331 |
|
2016 |
Goldey MB, Reid D, de Pablo J, Galli G. Planarity and multiple components promote organic photovoltaic efficiency by improving electronic transport. Physical Chemistry Chemical Physics : Pccp. PMID 27722501 DOI: 10.1039/C6Cp04999K |
0.33 |
|
2015 |
Goldey MB, Belzunces B, Head-Gordon M. Attenuated MP2 with a Long-Range Dispersion Correction for Treating Nonbonded Interactions. Journal of Chemical Theory and Computation. 11: 4159-68. PMID 26575911 DOI: 10.1021/Acs.Jctc.5B00509 |
0.551 |
|
2015 |
Witte J, Goldey M, Neaton JB, Head-Gordon M. Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches. Journal of Chemical Theory and Computation. 11: 1481-92. PMID 26574359 DOI: 10.1021/Ct501050S |
0.619 |
|
2015 |
Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696 |
0.636 |
|
2015 |
Witte J, Goldey M, Neaton JB, Head-Gordon M. Beyond energies: Geometries of nonbonded molecular complexes as metrics for assessing electronic structure approaches Journal of Chemical Theory and Computation. 11: 1481-1492. DOI: 10.1021/ct501050s |
0.423 |
|
2014 |
Huang Y, Goldey M, Head-Gordon M, Beran GJ. Achieving High-Accuracy Intermolecular Interactions by Combining Coulomb-Attenuated Second-Order Møller-Plesset Perturbation Theory with Coupled Kohn-Sham Dispersion. Journal of Chemical Theory and Computation. 10: 2054-63. PMID 26580532 DOI: 10.1021/Ct5002329 |
0.786 |
|
2014 |
Mayhall NJ, Goldey M, Head-Gordon M. A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong Correlations. Journal of Chemical Theory and Computation. 10: 589-99. PMID 26580035 DOI: 10.1021/Ct400898P |
0.729 |
|
2014 |
Goldey M, Head-Gordon M. Separate electronic attenuation allowing a spin-component-scaled second-order Møller-Plesset theory to be effective for both thermochemistry and noncovalent interactions. The Journal of Physical Chemistry. B. 118: 6519-25. PMID 24564860 DOI: 10.1021/Jp4126478 |
0.544 |
|
2014 |
Goldey M, DiStasio RA, Shao Y, Head-Gordon M. Shared memory multiprocessing implementation of resolution-of-the-identity second-order Møller-Plesset perturbation theory with attenuated and unattenuated results for intermolecular interactions between large molecules Molecular Physics. 112: 836-843. DOI: 10.1080/00268976.2013.869363 |
0.647 |
|
2014 |
Huang Y, Goldey M, Head-Gordon M, Beran GJO. Achieving high-accuracy intermolecular interactions by combining Coulomb-attenuated second-order Møller-Plesset perturbation theory with coupled Kohn-Sham dispersion Journal of Chemical Theory and Computation. 10: 2054-2063. DOI: 10.1021/ct5002329 |
0.649 |
|
2014 |
Mayhall NJ, Goldey M, Head-Gordon M. A quasidegenerate second-order perturbation theory approximation to RAS- n SF for excited states and strong correlations Journal of Chemical Theory and Computation. 10: 589-599. DOI: 10.1021/ct400898p |
0.681 |
|
2014 |
Goldey MB, Head-Gordon M. Convergence of attenuated second order Møller-Plesset perturbation theory towards the complete basis set limit Chemical Physics Letters. 608: 249-254. DOI: 10.1016/J.Cplett.2014.05.092 |
0.537 |
|
2013 |
Goldey M, Dutoi A, Head-Gordon M. Attenuated second-order Møller-Plesset perturbation theory: performance within the aug-cc-pVTZ basis. Physical Chemistry Chemical Physics : Pccp. 15: 15869-75. PMID 23942866 DOI: 10.1039/C3Cp51826D |
0.777 |
|
2013 |
Bell F, Zimmerman PM, Casanova D, Goldey M, Head-Gordon M. Restricted active space spin-flip (RAS-SF) with arbitrary number of spin-flips. Physical Chemistry Chemical Physics : Pccp. 15: 358-66. PMID 23169047 DOI: 10.1039/C2Cp43293E |
0.731 |
|
2012 |
Goldey M, Head-Gordon M. Attenuating Away the Errors in Inter- and Intramolecular Interactions from Second-Order Møller-Plesset Calculations in the Small Aug-cc-pVDZ Basis Set. The Journal of Physical Chemistry Letters. 3: 3592-8. PMID 26290993 DOI: 10.1021/Jz301694B |
0.558 |
|
2012 |
Zimmerman PM, Bell F, Goldey M, Bell AT, Head-Gordon M. Restricted active space spin-flip configuration interaction: theory and examples for multiple spin flips with odd numbers of electrons. The Journal of Chemical Physics. 137: 164110. PMID 23126698 DOI: 10.1063/1.4759076 |
0.724 |
|
2012 |
Goldey M, Head-Gordon M. Attenuating away the errors in inter- and intramolecular interactions from second-order Møller-plesset calculations in the small aug-cc-pVDZ basis set Journal of Physical Chemistry Letters. 3: 3592-3598. DOI: 10.1021/jz301694b |
0.455 |
|
Low-probability matches (unlikely to be authored by this person) |
2009 |
Hopkins T, Goldey M. Tb3+ and Eu3+ luminescence in imidazolium ionic liquids Journal of Alloys and Compounds. 488: 615-618. DOI: 10.1016/J.Jallcom.2008.12.091 |
0.226 |
|
Hide low-probability matches. |