Schwerdtfeger P - Search Results

1

The theory of Barlow packings: Basic properties and cohesive energies from exact lattice summations within the sticky hard-sphere model.

Cooper S, Robles-Navarro A, Smits OR, Schwerdtfeger P. Cooper S, et al. Among authors: schwerdtfeger p. J Chem Phys. 2025 Jan 7;162(1):014105. doi: 10.1063/5.0241375. J Chem Phys. 2025. PMID: 39745164

2

From Hard to Soft Dense Sphere Packings: The Cohesive Energy of Barlow Structures Using Exact Lattice Summations for a General Lennard-Jones Potential.

Cooper S, Robles-Navarro A, Smits OR, Schwerdtfeger P. Cooper S, et al. Among authors: schwerdtfeger p. J Phys Chem Lett. 2024 Aug 15;15(32):8387-8392. doi: 10.1021/acs.jpclett.4c01986. Epub 2024 Aug 8. J Phys Chem Lett. 2024. PMID: 39115313

3

World science and Indigenous knowledge.

Ahdar R, Boyd B, Chaudhuri A, Clements KD, Cooper G, Elliffe D, Gill B, Gray RD, Hamilton-Hart N, Lillis D, Matthews M, Raine J, Rata E, Schwerdtfeger P. Ahdar R, et al. Among authors: schwerdtfeger p. Science. 2024 Jul 12;385(6705):151-152. doi: 10.1126/science.ado6679. Epub 2024 Jul 11. Science. 2024. PMID: 38991071 No abstract available.

4

100 Years of the Lennard-Jones Potential.

Schwerdtfeger P, Wales DJ. Schwerdtfeger P, et al. J Chem Theory Comput. 2024 May 14;20(9):3379-3405. doi: 10.1021/acs.jctc.4c00135. Epub 2024 Apr 26. J Chem Theory Comput. 2024. PMID: 38669689 Review.

5

Reduction of CO₂ in the presence of light via excited-state hydride transfer reaction in a NADPH-inspired derivative.

Ostojić BD, Stanković B, Đorđević DS, Schwerdtfeger P. Ostojić BD, et al. Among authors: schwerdtfeger p. Phys Chem Chem Phys. 2024 Jun 26;26(25):17504-17520. doi: 10.1039/d3cp05635j. Phys Chem Chem Phys. 2024. PMID: 38416048

6

Large vibrationally induced parity violation effects in CHDBrI.

Eduardus, Shagam Y, Landau A, Faraji S, Schwerdtfeger P, Borschevsky A, Pašteka LF. Eduardus, et al. Among authors: schwerdtfeger p. Chem Commun (Camb). 2023 Dec 7;59(98):14579-14582. doi: 10.1039/d3cc03787h. Chem Commun (Camb). 2023. PMID: 37990542

7

Tipping the Balance Between the bcc and fcc Phase Within the Alkali and Coinage Metal Groups.

Robles-Navarro A, Jerabek P, Schwerdtfeger P. Robles-Navarro A, et al. Among authors: schwerdtfeger p. Angew Chem Int Ed Engl. 2024 Jan 2;63(1):e202313679. doi: 10.1002/anie.202313679. Epub 2023 Nov 29. Angew Chem Int Ed Engl. 2024. PMID: 37877444

8

Lattice sum for a hexagonal close-packed structure and its dependence on the c/a ratio of the hexagonal cell parameters.

Burrows A, Cooper S, Schwerdtfeger P. Burrows A, et al. Among authors: schwerdtfeger p. Phys Rev E. 2023 Jun;107(6-2):065302. doi: 10.1103/PhysRevE.107.065302. Phys Rev E. 2023. PMID: 37464642

9

Nuclear Quadrupole Splittings in Rotational Spectra for the Possible Detection of Fine Structure Constant Variations: The Diatomic Gold Halides and Gold Hydride as Case Studies.

Schwerdtfeger P. Schwerdtfeger P. J Phys Chem A. 2023 Apr 13;127(14):3163-3170. doi: 10.1021/acs.jpca.3c00704. Epub 2023 Apr 4. J Phys Chem A. 2023. PMID: 37014071

10

Solving a problem with a single parameter: a smooth bcc to fcc phase transition for metallic lithium.

Jerabek P, Burrows A, Schwerdtfeger P. Jerabek P, et al. Among authors: schwerdtfeger p. Chem Commun (Camb). 2022 Dec 1;58(96):13369-13372. doi: 10.1039/d2cc04928g. Chem Commun (Camb). 2022. PMID: 36377698

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