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Gas-Phase Synthesis of Boronylallene (H2CCCH(BO)) under Single Collision Conditions: A Crossed Molecular Beams and Computational Study.
J Phys Chem A. 2014 May 29;118(21):3810-3819. doi: 10.1021/jp501595n. Epub 2014 May 15.
J Phys Chem A. 2014.
PMID: 24806514
Multiresolution 3D-DenseNet for Chemical Shift Prediction in NMR Crystallography.
Liu S, Li J, Bennett KC, Ganoe B, Stauch T, Head-Gordon M, Hexemer A, Ushizima D, Head-Gordon T.
Liu S, et al. Among authors: ganoe b.
J Phys Chem Lett. 2019 Aug 15;10(16):4558-4565. doi: 10.1021/acs.jpclett.9b01570. Epub 2019 Jul 30.
J Phys Chem Lett. 2019.
PMID: 31305081
Free PMC article.
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Molecular Magnetizabilities Computed Via Finite Fields: Assessing Alternatives to MP2 and Revisiting Magnetic Exaltations in Aromatic and Antiaromatic Species.
Stauch T, Ganoe B, Wong J, Lee J, Rettig A, Liang J, Li J, Epifanovsky E, Head-Gordon T, Head-Gordon M.
Stauch T, et al. Among authors: ganoe b.
Mol Phys. 2021;119(21-22):e1990426. doi: 10.1080/00268976.2021.1990426. Epub 2021 Oct 14.
Mol Phys. 2021.
PMID: 35264815
Free PMC article.
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Doubles Connected Moments Expansion: A Tractable Approximate Horn-Weinstein Approach for Quantum Chemistry.
Ganoe B, Head-Gordon M.
Ganoe B, et al.
J Chem Theory Comput. 2023 Dec 26;19(24):9187-9201. doi: 10.1021/acs.jctc.3c00929. Epub 2023 Dec 5.
J Chem Theory Comput. 2023.
PMID: 38051773
Free PMC article.
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Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning.
Li J, Liang J, Wang Z, Ptaszek AL, Liu X, Ganoe B, Head-Gordon M, Head-Gordon T.
Li J, et al. Among authors: ganoe b.
J Chem Theory Comput. 2024 Mar 12;20(5):2152-2166. doi: 10.1021/acs.jctc.3c01256. Epub 2024 Feb 8.
J Chem Theory Comput. 2024.
PMID: 38331423
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An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3.
Wong J, Ganoe B, Liu X, Neudecker T, Lee J, Liang J, Wang Z, Li J, Rettig A, Head-Gordon T, Head-Gordon M.
Wong J, et al. Among authors: ganoe b.
J Chem Phys. 2023 Apr 28;158(16):164116. doi: 10.1063/5.0145130.
J Chem Phys. 2023.
PMID: 37114707
Free PMC article.
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Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets.
Liang J, Wang Z, Li J, Wong J, Liu X, Ganoe B, Head-Gordon T, Head-Gordon M.
Liang J, et al. Among authors: ganoe b.
J Chem Theory Comput. 2023 Jan 24;19(2):514-523. doi: 10.1021/acs.jctc.2c00933. Epub 2023 Jan 3.
J Chem Theory Comput. 2023.
PMID: 36594660
Free PMC article.
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