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Akademický článek

Design of a randomized controlled phase III study of dose dense methotrexate, vinblastine, doxorubicin and cisplatin (dd-MVAC) or gemcitabine and cisplatin (GC) as peri-operative chemotherapy for patients with locally advanced transitional cell cancer of the bladder. The French GETUG/AFU V05 VESPER trial

Publikováno v: Contemporary Clinical Trials Communications, Vol 17, Iss , Pp - (2020)

The main objective of the French GETUG/AFU V05 VESPER randomized phase III study was to assess the efficacy of dd-MVAC and GC in term of progression-free survival in patients for whom chemotherapy has been decided, before or after surgery.A total of

Externí odkaz: https://doaj.org/article/f43ed578297242ffbca2d23538b428ab

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Akademický článek

Non-Covalent Interactions of the Lewis Acids Cu–X, Ag–X, and Au–X (X = F and Cl) with Nine Simple Lewis Bases B: A Systematic Investigation of Coinage–Metal Bonds by Ab Initio Calculations

Autor: Ibon Alkorta, Nicholas R. Walker, Anthony C. Legon

Publikováno v: Inorganics, Vol 9, Iss 2, p 13 (2021)

The equilibrium geometry and two measures (the equilibrium dissociation energy in the complete basis set limit, De(CBS) and the intermolecular stretching force constant kσ) of the strength of the non-covalent interaction of each of six Lewis acids M

Externí odkaz: https://doaj.org/article/9009c7a798a74415b4ab29078e77efca

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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: Anthony C. Legon

Publikováno v: ChemPlusChem. 86:731-740

The radial potential energy is calculated ab initio at the explicitly correlated level of theory CCSD(T)(F12c)/cc-pVTZ-F12 for the five axially symmetric, halogen-bonded complexes B⋅⋅⋅ClF (B=N2 , CO, PH3 , HCN, and NH3 ) as a function of the in

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0767bb9b36c167c1e667f8f4e50e956a
https://doi.org/10.1002/cplu.202100122

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Akademický článek

Isolation of a Halogen-Bonded Complex Formed between Methane and Chlorine Monofluoride and Characterisation by Rotational Spectroscopy and Ab Initio Calculations

Autor: Anthony C. Legon, David G. Lister, John H. Holloway, Devendra Mani, Elangannan Arunan

Publikováno v: Molecules, Vol 24, Iss 23, p 4257 (2019)

A halogen-bonded complex formed between methane and chlorine monofluoride has been isolated in the gas phase before the reaction between the components and has been characterised through its rotational spectrum, which is of the symmetric-top type but

Externí odkaz: https://doaj.org/article/bf293727fd5f49ba9ce492431f7f60b7

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Akademický článek

Non-Covalent Interactions Involving Alkaline-Earth Atoms and Lewis Bases B: An ab Initio Investigation of Beryllium and Magnesium Bonds, B···MR2 (M = Be or Mg, and R = H, F or CH3)

Autor: Ibon Alkorta, Anthony C. Legon

Publikováno v: Inorganics, Vol 7, Iss 3, p 35 (2019)

Geometries, equilibrium dissociation energies (De), intermolecular stretching, and quadratic force constants (kσ) determined by ab initio calculations conducted at the CCSD(T)/aug-cc-pVTZ level of theory, with De obtained by using the complete basis

Externí odkaz: https://doaj.org/article/3c25fee258a24efca6fc7a9ff73113f5

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A test of ab initio-generated, radial intermolecular potential energy functions for five axially-symmetric, hydrogen-bonded complexes B⋯HF, where B = N2, CO, PH3, HCN and NH3

Autor: Anthony C. Legon

Publikováno v: Physical Chemistry Chemical Physics. 23:7271-7279

The radial potential energy functions for five axially symmetric, hydrogen-bonded complexes B⋯HF (B = N2, CO, PH3, HCN and NH3) have been calculated ab initio at the explicitly correlated level of theory CCSD(T)(F12c)/cc-pVTZ-F12 as a function of t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5542f48920bfc923cd028fc3b3f39a1c
https://doi.org/10.1039/d1cp00045d

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Radial Potential Energy Functions of Linear Halogen-Bonded Complexes YX···ClF (YX = FB, OC, SC, N

Autor: J Grant, Hill, Anthony C, Legon

Publikováno v: The journal of physical chemistry. A. 126(16)

Energies of linear, halogen-bonded complexes in the isoelectronic series YX···ClF (YX = FB, OC, or N

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::5ad9b9c610bf69253eb927a384c73b1c
https://pubmed.ncbi.nlm.nih.gov/35426668

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Akademický článek

An Ab Initio Investigation of the Geometries and Binding Strengths of Tetrel-, Pnictogen-, and Chalcogen-Bonded Complexes of CO2, N2O, and CS2 with Simple Lewis Bases: Some Generalizations

Autor: Ibon Alkorta, Anthony C. Legon

Publikováno v: Molecules, Vol 23, Iss 9, p 2250 (2018)

Geometries, equilibrium dissociation energies (De), and intermolecular stretching, quadratic force constants (kσ) are presented for the complexes B⋯CO2, B⋯N2O, and B⋯CS2, where B is one of the following Lewis bases: CO, HCCH, H2S, HCN, H2O, PH

Externí odkaz: https://doaj.org/article/520aeb6ce99f49fda6ba844dc476bccd

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