Furche F - Search Results

1

What Is the Price of Open-Source Software?

Krylov AI, Herbert JM, Furche F, Head-Gordon M, Knowles PJ, Lindh R, Manby FR, Pulay P, Skylaris CK, Werner HJ. Krylov AI, et al. Among authors: furche f. J Phys Chem Lett. 2015 Jul 16;6(14):2751-4. doi: 10.1021/acs.jpclett.5b01258. J Phys Chem Lett. 2015. PMID: 26266858 No abstract available.

2

A DFT perspective on organometallic lanthanide chemistry.

Rajabi A, Grotjahn R, Rappoport D, Furche F. Rajabi A, et al. Among authors: furche f. Dalton Trans. 2024 Jan 2;53(2):410-417. doi: 10.1039/d3dt03221c. Dalton Trans. 2024. PMID: 38013481 Review.

3

That Little Extra Kick: Nonadiabatic Effects in Acetaldehyde Photodissociation.

Vincent JC, Muuronen M, Pearce KC, Mohanam LN, Tapavicza E, Furche F. Vincent JC, et al. Among authors: furche f. J Phys Chem Lett. 2016 Oct 20;7(20):4185-4190. doi: 10.1021/acs.jpclett.6b02037. Epub 2016 Oct 10. J Phys Chem Lett. 2016. PMID: 27704839

4

Chiral cooperativity and solvent-induced tautomerism effects in electronic circular dichroism spectra of [2.2]paracyclophane ketimines.

Warnke I, Ay S, Bräse S, Furche F. Warnke I, et al. Among authors: furche f. J Phys Chem A. 2009 Jun 25;113(25):6987-93. doi: 10.1021/jp902563z. J Phys Chem A. 2009. PMID: 19476364

5

Is there symmetry breaking in the first excited singlet state of 2-pyridone dimer?

Sagvolden E, Furche F. Sagvolden E, et al. Among authors: furche f. J Phys Chem A. 2010 Jul 1;114(25):6897-903. doi: 10.1021/jp102637e. J Phys Chem A. 2010. PMID: 20527863

6

5-Methoxyquinoline Photobasicity Is Mediated by Water Oxidation.

Roy S, Ardo S, Furche F. Roy S, et al. Among authors: furche f. J Phys Chem A. 2019 Aug 8;123(31):6645-6651. doi: 10.1021/acs.jpca.9b05341. Epub 2019 Jul 29. J Phys Chem A. 2019. PMID: 31290666

7

Exploring the Solvation of Acetic Acid in Water Using Liquid Jet X-ray Photoelectron Spectroscopy and Core Level Electron Binding Energy Calculations.

Bruce JP, Zhang K, Balasubramani SG, Haines AR, Galhenage RP, Voora VK, Furche F, Hemminger JC. Bruce JP, et al. Among authors: furche f. J Phys Chem B. 2021 Aug 12;125(31):8862-8868. doi: 10.1021/acs.jpcb.1c03520. Epub 2021 Aug 2. J Phys Chem B. 2021. PMID: 34339193

8

Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations.

Rappoport D, Bekoe S, Mohanam LN, Le S, George N, Shen Z, Furche F. Rappoport D, et al. Among authors: furche f. J Comput Chem. 2023 Apr 30;44(11):1105-1118. doi: 10.1002/jcc.27068. Epub 2023 Jan 13. J Comput Chem. 2023. PMID: 36636945

9

Constructing the Mechanism of Dinoflagellate Luciferin Bioluminescence Using Computation.

Phun GS, Rappoport D, Furche F, Gibson TR, Tretiak S. Phun GS, et al. Among authors: furche f. J Phys Chem Lett. 2023 Jul 6;14(26):6001-6008. doi: 10.1021/acs.jpclett.3c01053. Epub 2023 Jun 22. J Phys Chem Lett. 2023. PMID: 37347959

10

Photoelectron spectroscopy of C(84) dianions.

Ehrler OT, Weber JM, Furche F, Kappes MM. Ehrler OT, et al. Among authors: furche f. Phys Rev Lett. 2003 Sep 12;91(11):113006. doi: 10.1103/PhysRevLett.91.113006. Epub 2003 Sep 12. Phys Rev Lett. 2003. PMID: 14525423

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