Detalhe da pesquisa
1.
The ultraviolet and vacuum ultraviolet absorption spectrum of gamma-pyrone; the singlet states studied by configuration interaction and density functional calculations.
J Chem Phys
; 160(5)2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38341687
2.
The ionic and ground states of gamma-pyrone. The photoionization spectrum studied by synchrotron radiation and interpreted by configuration interaction and density functional calculations.
J Chem Phys
; 158(1): 014304, 2023 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36610975
3.
High-level studies of the singlet states of quadricyclane, including analysis of a new experimental vacuum ultraviolet absorption spectrum by configuration interaction and density functional calculations.
J Chem Phys
; 158(23)2023 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-37318170
4.
New Chemistry of Chiral 1,3-Dioxolan-4-Ones.
Molecules
; 28(9)2023 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37175260
5.
Thermal Rearrangement of Thiocarbonyl-Stabilised Triphenylphosphonium Ylides Leading to (Z)-1-Diphenylphosphino-2-(phenylsulfenyl)alkenes and Their Coordination Chemistry.
Molecules
; 29(1)2023 Dec 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-38202804
6.
Access to Diarylmethanols by Wittig Rearrangement of ortho-, meta-, and para-Benzyloxy-N-Butylbenzamides.
J Org Chem
; 87(7): 4692-4701, 2022 Apr 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35286089
7.
The ground and ionized states of azulene: A combined study of the vibrational energy levels by photoionization, configuration interaction, and density functional calculations.
J Chem Phys
; 156(6): 064305, 2022 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35168351
8.
The excited states of azulene: A study of the vibrational energy levels for the lower ππ*-valence states by configuration interaction and density functional calculations, and theoretical studies of the Rydberg states.
J Chem Phys
; 157(15): 154307, 2022 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36272785
9.
Further Studies on the [1,2]-Wittig Rearrangement of 2-(2-Benzyloxy)aryloxazolines.
Molecules
; 27(10)2022 May 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-35630665
10.
The vacuum ultraviolet absorption spectrum of norbornadiene: Vibrational analysis of the singlet and triplet valence states of norbornadiene by configuration interaction and density functional calculations.
J Chem Phys
; 155(3): 034308, 2021 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-34293869
11.
Rationalisation of Patterns of Competing Reactivity by X-ray Structure Determination: Reaction of Isomeric (Benzyloxythienyl)oxazolines with a Base.
Molecules
; 26(24)2021 Dec 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34946776
12.
The periodic table and other wallcharts in the teaching of chemistry in St Andrews, 1884-1919.
Philos Trans A Math Phys Eng Sci
; 378(2180): 20190299, 2020 Sep 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-32811364
13.
The vacuum ultraviolet spectrum of cyclohepta-1, 3, 5-triene: Analysis of the singlet and triplet excited states by ab initio and density functional methods.
J Chem Phys
; 153(5): 054301, 2020 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32770885
14.
High-level studies of the ionic states of norbornadiene and quadricyclane, including analysis of new experimental photoelectron spectra by configuration interaction and coupled cluster calculations.
J Chem Phys
; 153(20): 204303, 2020 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33261475
15.
The ground and ionic states of cyclohepta-1,3,5-triene and their relationship to norcaradiene states: New 1H and 13C NMR spectra and analysis of a new experimental photoelectron spectrum by ab initio methods.
J Chem Phys
; 152(14): 144301, 2020 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32295354
16.
Synthesis, microwave spectra, x-ray structure, and high-level theoretical calculations for formamidinium formate.
J Chem Phys
; 150(9): 094305, 2019 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30849873
17.
The photoelectron spectra of the isomeric 1- and 2-methyltetrazoles; their equilibrium structures and vibrational analysis by ab initio calculations.
J Chem Phys
; 149(3): 034305, 2018 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-30037262
18.
Further Studies on the Pyrolytic Domino Cyclization of Stabilized Phosphonium Ylides Bearing an Ortho-Aminophenyl Group.
Molecules
; 23(9)2018 Aug 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-30150585
19.
Syntheses of Combretastatins D-1, D-2, and D-4 via Ring Contraction by Flash Vacuum Pyrolysis.
J Org Chem
; 82(1): 579-587, 2017 01 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27966959
20.
Synthesis, Structure, and Unusual Reactivity of a Stable 3-(Oxazolidin-2-ylidene)thiophen-2-one.
J Org Chem
; 81(21): 10527-10531, 2016 11 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-27421063