bwestbro.com

bwestbro.com Brent R. Westbrook's recent publications and blogs https://bwestbro.com 1800 Installing Emacs packages from GitHub blogs/use-package-vc.html Fri, 12 Dec 2025 00:00:00 +0000 Using ty with lsp-mode blogs/ty-lsp-mode.html Fri, 05 Dec 2025 00:00:00 +0000 Running chemistry calculations with uv blogs/uv-pyscf.html Tue, 28 Oct 2025 00:00:00 +0000 Another blog update blogs/another-blog-update.html Fri, 24 Oct 2025 00:00:00 +0000 A CSS Makeover blogs/css-makeover.html Sun, 15 Jun 2025 00:00:00 +0000 Book Review: Rust Atomics and Locks blogs/br-rust-atomics.html Mon, 02 Sep 2024 00:00:00 +0000 Book Review: Crafting Interpreters blogs/br-crafting-interpreters.html Sun, 14 Jul 2024 00:00:00 +0000 Vegan protein blogs/vegan-protein.html Thu, 11 Jul 2024 00:00:00 +0000 Improving my blog pipeline blogs/blog-update.html Tue, 09 Jul 2024 00:00:00 +0000 Emacs for LaTeX blogs/latex.html Sun, 12 Dec 2021 00:00:00 +0000 Why Emacs? blogs/why-emacs.html Sun, 12 Dec 2021 00:00:00 +0000 Density fitting blogs/df.html Sun, 04 Jul 2021 00:00:00 +0000 Understanding interfaces in Go blogs/interface.html Fri, 12 Mar 2021 00:00:00 +0000 Emacs for Go development from scratch blogs/emacs.html Mon, 01 Feb 2021 00:00:00 +0000 ed is the standard text editor blogs/ed.html Sat, 28 Nov 2020 00:00:00 +0000 Bash process substitution and the tee command blogs/tee.html Sun, 21 Jun 2020 00:00:00 +0000 Anharmonic rotational and vibrational spectroscopic constants of NH2CH2OH https://doi.org/10.1016/j.vibspec.2024.103690 Tue, 28 May 2024 00:00:00 +0000 Theoretical Rotational and Vibrational Spectra Data for the Hypermagnesium Oxide Species Mg2O and Mg2O+ https://doi.org/10.1002/cphc.202400479 Mon, 27 May 2024 00:00:00 +0000 On the detectability of interstellar diaminomethane ((NH2)2CH2) https://doi.org/10.1093/mnras/stad3938 Thu, 04 Jan 2024 00:00:00 +0000 High throughput anharmonic vibrational and rotational spectral computations https://doi.org/10.1016/bs.arcc.2023.10.005 Fri, 10 Nov 2023 00:00:00 +0000 Taming Semi-Empirical Methods for PAHs and Vibrational Spectra https://doi.org/10.1016/j.jms.2023.111846 Wed, 01 Nov 2023 00:00:00 +0000 The Performance of Hybrid and F12*/F12c Explicitly Correlated Coupled Cluster Methods for Use in Anharmonic Vibrational Frequency Computations https://doi.org/10.1002/qua.27225 Fri, 08 Sep 2023 00:00:00 +0000 pbqff: Push-Button Quartic Force Fields https://doi.org/10.1021/acs.jctc.3c00129 Fri, 07 Apr 2023 00:00:00 +0000 Gas-Phase Formation and Spectroscopic Characterization of the Disubstituted Cyclopropenylidenes c-C3(C2H)2, c-C3(CN)2, and c-C3(C2H)(CN) https://doi.org/10.1051/0004-6361/202245643 Tue, 17 Jan 2023 00:00:00 +0000 Red-Shifting the Excitation Energy of Carbonic Acid Clusters Via Nonminimum Structures https://doi.org/10.1021/acs.jpca.2c07589 Mon, 09 Jan 2023 00:00:00 +0000 The Spectral Features and Detectability of Small, Cyclic Silicon Carbide Clusters https://doi.org/10.3389/fspas.2022.1074879 Tue, 06 Dec 2022 00:00:00 +0000 Reparameterized Semi-Empirical Methods for Computing Anharmonic Vibrational Frequencies of Multiply-Bonded Hydrocarbons https://doi.org/10.1088/2516-1075/aca458 Tue, 06 Dec 2022 00:00:00 +0000 Theoretical Spectra and Energetics for c-C3HC2H, l-C5H2, and Bipyramidal D3h C5H2 https://doi.org/10.3389/fspas.2022.1051535 Mon, 14 Nov 2022 00:00:00 +0000 Polycyclic Aliphatic Hydrocarbons: Is Tetrahedrane Present in UIR Spectra? https://doi.org/10.1039/D2CP01103D Wed, 25 May 2022 00:00:00 +0000 Benzvalyne: Real or Imaginary? https://doi.org/10.1063/5.0077033 Mon, 10 Jan 2022 00:00:00 +0000 Anharmonic Vibrational Frequencies of Water Borane and Associated Molecules https://doi.org/10.3390/molecules26237348 Fri, 03 Dec 2021 00:00:00 +0000 F12-TZ-cCR: A Methodology for Faster and Still Highly-Accurate Quartic Force Fields https://doi.org/10.1021/acs.jpca.1c08355 Tue, 30 Nov 2021 00:00:00 +0000 Fundamental Vibrational Frequencies and Spectroscopic Constants of Substituted Cyclopropenylidene (c-C3HX, X=F,Cl,CN) https://doi.org/10.1021/acs.jpca.1c06576 Tue, 05 Oct 2021 00:00:00 +0000 Vibrational and Rotational Spectral Data for Possible Interstellar Detection of AlH3OH2, SiH3OH, and SiH3NH2 https://doi.org/10.1093/mnras/stab2683 Wed, 22 Sep 2021 00:00:00 +0000 Highly-Accurate Quartic Force Fields for the Prediction of Anharmonic Rotational Constants and Fundamental Vibrational Frequencies https://doi.org/10.1016/j.saa.2020.119184 Fri, 05 Mar 2021 00:00:00 +0000 Anharmonic Vibrational Frequencies of Ammonia Borane (BH3NH3) https://doi.org/10.1063/5.0040050 Fri, 29 Jan 2021 00:00:00 +0000 Anharmonic Vibrational Frequencies and Spectroscopic Constants for the Detection of Ethynol in Space https://doi.org/10.3389/fspas.2020.626407 Fri, 15 Jan 2021 00:00:00 +0000 Spectral Characterization for Small Clusters of Silicon and Oxygen: SiO2, SiO3, Si2O3, Si2O4 https://doi.org/10.1016/j.pss.2020.105076 Sun, 15 Nov 2020 00:00:00 +0000 Overcoming the Out-of-Plane Bending Issue in an Aromatic Hydrocarbon: The Anharmonic Vibrational Frequencies of c-(CH)C3H2+ https://doi.org/10.1039/D0CP01889A Tue, 26 May 2020 00:00:00 +0000 Anharmonic Frequencies of (MO)2 & Related Hydrides for M = Mg, Al, Si, P, S, Ca, & Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic Oxides https://doi.org/10.1021/acs.jpca.0c01609 Thu, 26 Mar 2020 00:00:00 +0000 Communication: Molecular Oxygen Generation from the Reaction of Water Cations with Oxygen Atoms https://doi.org/10.1063/1.5102073 Fri, 31 May 2019 00:00:00 +0000 Binding of the Atomic Cations Hydrogen through Argon to Water and Hydrogen Sulfide https://doi.org/10.1039/C8CP05378B Tue, 02 Oct 2018 00:00:00 +0000