Detalles de la búsqueda
1.
Synthesis, Characterization, and Computational Studies on Gallium(III) and Iron(III) Complexes with a Pentadentate Macrocyclic bis-Phosphinate Chelator and Their Investigation As Molecular Scaffolds for 18F Binding.
Inorg Chem
; 62(50): 20844-20857, 2023 Dec 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-38055373
2.
A study of the thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) with atomic chlorine (Cl) in the absence and presence of water, using electronic structure methods.
Phys Chem Chem Phys
; 25(6): 4780-4793, 2023 Feb 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-36692209
3.
Neutral and Cationic Complexes of Silicon(IV) Halides with Phosphine Ligands.
Inorg Chem
; 61(42): 16905-16913, 2022 Oct 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-36222839
4.
Single photon double and triple ionization of allene.
Phys Chem Chem Phys
; 24(2): 786-796, 2022 Jan 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-34927639
5.
Pyramidal Dicationic Ge(II) Complexes with Homoleptic Neutral Pnictine Coordination: A Combined Experimental and Density Functional Theory Study.
Inorg Chem
; 60(16): 12100-12108, 2021 Aug 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-34319096
6.
Comment on "Impact of water on the BrO + HO2 gas-phase reaction: mechanism, kinetics and products" by N. T. Tsona, S. Tang and L. Du, Phys. Chem. Chem. Phys., 2019, 21, 20296.
Phys Chem Chem Phys
; 23(10): 6309-6315, 2021 Mar 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-33735337
7.
Spectroscopy on the wing: Investigating possible differences in protein secondary structures in feather shafts of birds using Raman spectroscopy.
J Struct Biol
; 211(1): 107529, 2020 07 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-32416130
8.
Tertiary Phosphine and Arsine Complexes of Phosphorus Pentafluoride: Synthesis, Properties, and Electronic Structures.
Inorg Chem
; 59(7): 4517-4526, 2020 Apr 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-32186860
9.
Correction to "Synthesis, Characterization, and Computational Studies on Gallium(III) and Iron(III) Complexes with a Pentadentate Macrocyclic bis-Phosphinate Chelator and Their Investigation As Molecular Scaffolds for 18F Binding".
Inorg Chem
; 63(4): 2310, 2024 Jan 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-38237557
10.
Photoionization studies of reactive intermediates using synchrotron radiation.
Phys Chem Chem Phys
; 21(18): 9106-9136, 2019 May 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-30993281
11.
The Atmospherically Important Reaction of Hydroxyl Radicals with Methyl Nitrate: A Theoretical Study Involving the Calculation of Reaction Mechanisms, Enthalpies, Activation Energies, and Rate Coefficients.
J Phys Chem A
; 121(35): 6554-6567, 2017 Sep 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-28792762
12.
Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO.
J Phys Chem A
; 121(1): 4-15, 2017 Jan 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-27755879
13.
Can Cyclen Bind Alkali Metal Azides? A DFT Study as a Precursor to Synthesis.
Chemistry
; 22(13): 4469-82, 2016 Mar 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-26880648
14.
A theoretical study of the atmospherically important radical-radical reaction BrO + HO2; the product channel O2(a1Δg) + HOBr is formed with the highest rate.
Phys Chem Chem Phys
; 18(44): 30554-30569, 2016 Nov 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-27785502
15.
A Study of H2O2 with Threshold Photoelectron Spectroscopy (TPES) and Electronic Structure Calculations: Redetermination of the First Adiabatic Ionization Energy (AIE).
J Phys Chem A
; 120(27): 5220-9, 2016 Jul 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27045948
16.
Simulation of the photodetachment spectrum of HHfO- using coupled-cluster calculations.
J Chem Phys
; 145(24): 244303, 2016 Dec 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-28010072
17.
Simulation of the single-vibronic-level emission spectra of HAsO and DAsO.
J Chem Phys
; 144(18): 184303, 2016 May 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27179480
18.
Corrigendum: Difluorocarbene studied with Threshold Photoelectron Spectroscopy (TPES): Measurement of the first Adiabatic Ionization Energy (AIE) of CF2.
Chemistry
; 26(66): 15337, 2020 Nov 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-33241898
19.
Sodium thioether macrocyclic chemistry: remarkable homoleptic octathia coordination to Na(+).
Inorg Chem
; 54(6): 2497-9, 2015 Mar 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-25723901
20.
A theoretical study of the mechanism of the atmospherically relevant reaction of chlorine atoms with methyl nitrate, and calculation of the reaction rate coefficients at temperatures relevant to the troposphere.
Phys Chem Chem Phys
; 17(11): 7463-76, 2015 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-25704917