Zobrazeno 1 - 10 of 692 pro vyhledávání: '"Legon AC"'
1
Akademický článek
Monohydrides of the Group 13 Elements M=B, Al and Ga: Axial Bi-Nucleophilicity and the Propensity to Form Both H-M⋅⋅⋅HX and M-H⋅⋅⋅HX Hydrogen Bonds (X=F, Cl, Br, I, CN, CCH, CP).
Autor: Alkorta I; Instituto de Química Médica (CSIC), Juan de la Cierva, 3, 28006, Madrid, Spain., Legon AC; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, UK.
Publikováno v: ChemPlusChem [Chempluschem] 2024 Sep; Vol. 89 (9), pp. e202400314. Date of Electronic Publication: 2024 Jul 05.
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2
Akademický článek
Ab Initio Investigation of Tetrel Bonds in Isolated Complexes Formed Between a Lewis Acid H 3 MX, M-O or M-S (M = Si, Ge, or Sn) and the Lewis Bases B = N 2 , CO, HCCH, PH 3 , C 2 H 4 , HCN, CS, HNC, NP, H 2 O, and NH 3 .
Autor: Alkorta I; Instituto de Química Médica (IQM-CSIC), Juan de la Cierva, 3, E-28006 Madrid, Spain., Legon AC; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K.
Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2024 Jul 25; Vol. 128 (29), pp. 5963-5968. Date of Electronic Publication: 2024 Jul 15.
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3
Akademický článek
Radial Potential Energy Functions of Linear Halogen-Bonded Complexes YX···ClF (YX = FB, OC, SC, N 2 ) and the Effects of Substituting X by Second-Row Analogues: Mulliken Inner and Outer Complexes.
Autor: Hill JG; Department of Chemistry, University of Sheffield, Sheffield S3 7HF, U.K.., Legon AC; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K.
Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2022 Apr 28; Vol. 126 (16), pp. 2511-2521. Date of Electronic Publication: 2022 Apr 15.
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4
Akademický článek
An Assessment of Radial Potential Functions for the Halogen Bond: Pseudo-Diatomic Models for Axially Symmetric Complexes B⋅⋅⋅ClF (B=N 2 , CO, PH 3 , HCN, and NH 3 ).
Autor: Legon AC; School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, UK.
Publikováno v: ChemPlusChem [Chempluschem] 2021 May; Vol. 86 (5), pp. 731-740.
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5
Akademický článek
The Electrophilicities of XCF 3 and XCl (X=H, Cl, Br, I) and the Propensity of These Molecules To Form Hydrogen and Halogen Bonds with Lewis Bases: An Ab Initio Study.
Autor: Alkorta I; Instituto de Química Médica (CSIC), Juan de la Cierva, 3, 28006, Madrid, Spain., Legon AC; School of Chemistry, University of Bristol Cantock's Close, Bristol BS8 1TS, United Kingdom.
Publikováno v: ChemPlusChem [Chempluschem] 2021 Apr 30; Vol. 86 (5), pp. 778-784. Date of Electronic Publication: 2021 Apr 30.
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6
Akademický článek
A test of ab initio-generated, radial intermolecular potential energy functions for five axially-symmetric, hydrogen-bonded complexes BHF, where B = N 2 , CO, PH 3 , HCN and NH 3 .
Autor: Legon AC; School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, UK. a.c.legon@bristol.ac.uk.
Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2021 Mar 28; Vol. 23 (12), pp. 7271-7279. Date of Electronic Publication: 2021 Mar 22.
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7
Akademický článek
The rotational spectrum of H 2 S⋯HI and an investigation by ab initio calculations of the origins of the observed doubling of rotational transitions in both H 2 S⋯HI and H 2 S⋯F 2 .
Autor: Suckley AP; Department of Chemistry, University of Exeter, Stocker Road, Exeter EX4 4QD, United Kingdom., Tew DP; Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom., Legon AC; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, United Kingdom.
Publikováno v: The Journal of chemical physics [J Chem Phys] 2020 Nov 28; Vol. 153 (20), pp. 204301.
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8
Akademický článek
An ab initio investigation of alkali-metal non-covalent bonds BLiR and BNaR (R = F, H or CH 3 ) formed with simple Lewis bases B: the relative inductive effects of F, H and CH 3 .
Autor: Alkorta I; Instituto de Química Médica (IQM-CSIC), Juan de la Cierva, 3, E-28006 Madrid, Spain. ibon@iqm.csic.es., Hill JG; Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK. grant.hill@sheffield.ac.uk., Legon AC; School of Chemistry, University of Bristol, Cantocks Close, Bristol BS8 1TS, UK. a.c.legon@bristol.ac.uk.
Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2020 Jul 22; Vol. 22 (28), pp. 16421-16430.
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10
Akademický článek
Isolation of a Halogen-Bonded Complex Formed between Methane and Chlorine Monofluoride and Characterisation by Rotational Spectroscopy and Ab Initio Calculations.
Autor: Legon AC; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, UK., Lister DG; Dipartimento di Chimica Industriale, Universita di Messina, Casella Postale 29, 1-98166 San'Agata di Messina, Italy., Holloway JH; School of Chemistry, University of Leicester, University Road, Leicester LE1 7RH, UK., Mani D; Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India., Arunan E; Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India.
Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2019 Nov 22; Vol. 24 (23). Date of Electronic Publication: 2019 Nov 22.
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