Femtosecond Core-Level Spectroscopy Reveals Involvement of Triplet States in the Gas-Phase Photodissociation of Fe(CO) 5 .

Autor: Troß J; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94550, United States., Arias-Martinez JE; Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, Berkeley, California 94720, United States.; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States., Carter-Fenk K; Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, Berkeley, California 94720, United States.; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States., Cole-Filipiak NC; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94550, United States., Schrader P; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94550, United States., McCaslin LM; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94550, United States., Head-Gordon M; Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, Berkeley, California 94720, United States.; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States., Ramasesha K; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94550, United States.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2024 Aug 14; Vol. 146 (32), pp. 22711-22723. Date of Electronic Publication: 2024 Aug 02.

Matrix-formation dynamics dictate methyl nitrite conformer abundance.

Autor: Hockey EK; Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742, USA., McLane N; Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA., Vlahos K; Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742, USA., McCaslin LM; Sandia National Laboratories, Livermore, California 94550, USA., Dodson LG; Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2024 Mar 07; Vol. 160 (9).

Comparing the structures and photophysical properties of two charge transfer co-crystals.

Autor: Abou Taka A; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., Reynolds JE 3rd; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., Cole-Filipiak NC; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., Shivanna M; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., Yu CJ; Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA., Feng P; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., Allendorf MD; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., Ramasesha K; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., Stavila V; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov., McCaslin LM; Sandia National Laboratories, Livermore, California 94550, USA. lmmccas@sandia.gov.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2023 Oct 18; Vol. 25 (40), pp. 27065-27074. Date of Electronic Publication: 2023 Oct 18.

Effects of Microhydration on the Mechanisms of Hydrolysis and Cl ^- Substitution in Reactions of N 2 O 5 and Seawater.

Autor: McCaslin LM; Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94550, USA., Götz AW; San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, 92093, USA., Johnson MA; Department of Chemistry, Yale University, New Haven, CT 06525, USA., Gerber RB; Institute of Chemistry and the Fritz Haber Center for Molecular Dynamics, The Hebrew University, Jerusalem, 9190401, Israel.; Department of Chemistry, University of California Irvine, Irvine, CA 92597, USA.

Publikováno v: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2023 Mar 01; Vol. 24 (5), pp. e202200819. Date of Electronic Publication: 2022 Dec 05.

Hydration and Hydrogen Bond Order of Octadecanoic Acid and Octadecanol Films on Water at 21 and 1 °C.

Autor: Vazquez de Vasquez MG; Department of Chemistry & Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, United States., Carter-Fenk KA; Department of Chemistry & Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, United States., McCaslin LM; Combustion Research Facility, Sandia National Laboratories, Livermore, California 94551, United States., Beasley EE; Department of Chemistry & Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, United States., Clark JB; Department of Chemistry & Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, United States., Allen HC; Department of Chemistry & Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, United States.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2021 Nov 25; Vol. 125 (46), pp. 10065-10078. Date of Electronic Publication: 2021 Nov 11.