Year |
Citation |
Score |
2021 |
Lee J, Feng X, Cunha LA, Gonthier JF, Epifanovsky E, Head-Gordon M. Approaching the basis set limit in Gaussian-orbital-based periodic calculations with transferability: Performance of pure density functionals for simple semiconductors. The Journal of Chemical Physics. 155: 164102. PMID 34717349 DOI: 10.1063/5.0069177 |
0.628 |
|
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, 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 |
0.456 |
|
2021 |
Schneider PE, Tao Z, Pavošević F, Epifanovsky E, Feng X, Hammes-Schiffer S. Transition states, reaction paths, and thermochemistry using the nuclear-electronic orbital analytic Hessian. The Journal of Chemical Physics. 154: 054108. PMID 33557565 DOI: 10.1063/5.0033540 |
0.408 |
|
2019 |
Feng X, Epifanovsky E, Gauss J, Krylov AI. Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky decomposition of the electron-repulsion integrals and their derivatives: Theory and benchmarks. The Journal of Chemical Physics. 151: 014110. PMID 31272185 DOI: 10.1063/1.5100022 |
0.651 |
|
2019 |
Lopez Vidal M, Feng X, Epifanovsky E, Krylov AI, Coriani S. A new and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states. Journal of Chemical Theory and Computation. PMID 30964297 DOI: 10.1021/Acs.Jctc.9B00039 |
0.653 |
|
2018 |
Korovina NV, Joy J, Feng X, Feltenberger C, Krylov AI, Bradforth SE, Thompson ME. Linker-Dependent Singlet Fission in Tetracene Dimers. Journal of the American Chemical Society. PMID 30016102 DOI: 10.1021/Jacs.8B04401 |
0.64 |
|
2016 |
Feng X, Krylov AI. On couplings and excimers: lessons from studies of singlet fission in covalently linked tetracene dimers. Physical Chemistry Chemical Physics : Pccp. PMID 26910414 DOI: 10.1039/C6Cp00177G |
0.653 |
|
2016 |
Feng X, Casanova D, Krylov AI. Intra- and Intermolecular Singlet Fission in Covalently Linked Dimers Journal of Physical Chemistry C. 120: 19070-19077. DOI: 10.1021/Acs.Jpcc.6B07666 |
0.679 |
|
2015 |
Korovina NV, Das S, Nett Z, Feng X, Joy J, Haiges R, Krylov AI, Bradforth SE, Thompson ME. Singlet Fission in a Covalently Linked Cofacial Alkynyltetracene Dimer. Journal of the American Chemical Society. PMID 26693957 DOI: 10.1021/Jacs.5B10550 |
0.6 |
|
2015 |
Luzanov AV, Casanova D, Feng X, Krylov AI. Quantifying charge resonance and multiexciton character in coupled chromophores by charge and spin cumulant analysis. The Journal of Chemical Physics. 142: 224104. PMID 26071698 DOI: 10.1063/1.4921635 |
0.654 |
|
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 |
0.597 |
|
2014 |
Matsika S, Feng X, Luzanov AV, Krylov AI. What we can learn from the norms of one-particle density matrices, and what we can't: some results for interstate properties in model singlet fission systems. The Journal of Physical Chemistry. A. 118: 11943-55. PMID 25068677 DOI: 10.1021/Jp506090G |
0.66 |
|
2014 |
Feng X, Kolomeisky AB, Krylov AI. Dissecting the effect of morphology on the rates of singlet fission: Insights from theory Journal of Physical Chemistry C. 118: 19608-19617. DOI: 10.1021/Jp505942K |
0.632 |
|
2014 |
Kolomeisky AB, Feng X, Krylov AI. A simple kinetic model for singlet fission: A role of electronic and entropic contributions to macroscopic rates Journal of Physical Chemistry C. 118: 5188-5195. DOI: 10.1021/Jp4128176 |
0.661 |
|
2013 |
Epifanovsky E, Zuev D, Feng X, Khistyaev K, Shao Y, Krylov AI. General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: theory and benchmarks. The Journal of Chemical Physics. 139: 134105. PMID 24116550 DOI: 10.1063/1.4820484 |
0.771 |
|
2013 |
Feng X, Luzanov AV, Krylov AI. Fission of entangled Spins: An electronic structure perspective Journal of Physical Chemistry Letters. 4: 3845-3852. DOI: 10.1021/Jz402122M |
0.656 |
|
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