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1.

Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy.

Ramasami, Ponnadurai; Murray, Jane.

Chemphyschem ; : e202400450, 2024 May 22.

Article in English | MEDLINE | ID: mdl-38775267

2.

Probing intramolecular interactions using molecular electrostatic potentials: changing electron density contours to unveil both attractive and repulsive interactions.

Roos, Goedele; Murray, Jane S.

Phys Chem Chem Phys ; 26(9): 7592-7601, 2024 Feb 28.

Article in English | MEDLINE | ID: mdl-38362927

3.

The Formation of σ-Hole Bonds: A Physical Interpretation.

Murray, Jane S.

Molecules ; 29(3)2024 Jan 26.

Article in English | MEDLINE | ID: mdl-38338346

4.

Intramolecular Repulsion Visible Through the Electrostatic Potential in Disulfides: Analysis via Varying Iso-density Envelopes.

Roos, Goedele; Murray, Jane S.

J Phys Chem A ; 127(40): 8354-8364, 2023 Oct 12.

Article in English | MEDLINE | ID: mdl-37768140

5.

Interpreting the variations in the kinetic and potential energies in the formation of a covalent bond.

Clark, Timothy; Politzer, Peter; Murray, Jane S.

Phys Chem Chem Phys ; 24(20): 12116-12120, 2022 May 25.

Article in English | MEDLINE | ID: mdl-35545093

6.

Can Counter-Intuitive Halogen Bonding Be Coulombic?

Murray, Jane S; Politzer, Peter.

Chemphyschem ; 22(12): 1201-1207, 2021 06 16.

Article in English | MEDLINE | ID: mdl-33844430

7.

The π-hole revisited.

Politzer, Peter; Murray, Jane S; Clark, Timothy.

Phys Chem Chem Phys ; 23(31): 16458-16468, 2021 Aug 12.

Article in English | MEDLINE | ID: mdl-34286761

8.

'Generation Pup' - protocol for a longitudinal study of dog behaviour and health.

Murray, Jane Katherine; Kinsman, Rachel Heather; Lord, Michelle Susannah; Da Costa, Rosa Elizabete Pinto; Woodward, Joshua Luke; Owczarczak-Garstecka, Sara Cecylia; Tasker, Séverine; Knowles, Toby Grahame; Casey, Rachel Alison.

BMC Vet Res ; 17(1): 1, 2021 Jan 04.

Article in English | MEDLINE | ID: mdl-33397375

9.

The Neglected Nuclei.

Politzer, Peter; Murray, Jane S.

Molecules ; 26(10)2021 May 18.

Article in English | MEDLINE | ID: mdl-34069785

10.

Electrostatics and Polarization in σ- and π-Hole Noncovalent Interactions: An Overview.

Politzer, Peter; Murray, Jane S.

Chemphyschem ; 21(7): 579-588, 2020 Apr 02.

Article in English | MEDLINE | ID: mdl-31733136

11.

Explicit Inclusion of Polarizing Electric Fields in σ- and π-Hole Interactions.

Politzer, Peter; Murray, Jane S; Clark, Timothy.

J Phys Chem A ; 123(46): 10123-10130, 2019 Nov 21.

Article in English | MEDLINE | ID: mdl-31647237

12.

Industry-Informed Workshops to Develop Graduate Skill Sets in the Circular Economy Using Systems Thinking.

Summerton, Louise; Clark, James H; Hurst, Glenn A; Ball, Peter D; Rylott, Elizabeth L; Carslaw, Nicola; Creasey, Julia; Murray, Jane; Whitford, Jeffrey; Dobson, Brian; Sneddon, Helen F; Ross, Joe; Metcalf, Pete; McElroy, C Robert.

J Chem Educ ; 96(12): 2959-2967, 2019 Dec 10.

Article in English | MEDLINE | ID: mdl-32051645

13.

σ-holes and π-holes: Similarities and differences.

Politzer, Peter; Murray, Jane S.

J Comput Chem ; 39(9): 464-471, 2018 04 05.

Article in English | MEDLINE | ID: mdl-28877367

14.

The σ-Hole Coulombic Interpretation of Trihalide Anion Formation.

Clark, Timothy; Murray, Jane S; Politzer, Peter.

Chemphyschem ; 19(22): 3044-3049, 2018 11 19.

Article in English | MEDLINE | ID: mdl-30156047

15.

Cyrene as a bio-based solvent for HATU mediated amide coupling.

Wilson, Kirsty L; Murray, Jane; Jamieson, Craig; Watson, Allan J B.

Org Biomol Chem ; 16(16): 2851-2854, 2018 04 25.

Article in English | MEDLINE | ID: mdl-29630081

16.

A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions.

Clark, Timothy; Murray, Jane S; Politzer, Peter.

Phys Chem Chem Phys ; 20(48): 30076-30082, 2018 Dec 12.

Article in English | MEDLINE | ID: mdl-30484786

17.

Is it ever ethical for nurses to lie to patients?

Murray, Jane.

Nurs Ethics ; 30(1): 3-4, 2023 02.

Article in English | MEDLINE | ID: mdl-36740594

18.

The influence of the metal cations and microhydration on the reaction trajectory of the N3 â O2 thymine proton transfer: Quantum mechanical study.

Sebesta, Filip; Brela, Mateusz Z; Diaz, Silvia; Miranda, Sebastian; Murray, Jane S; Gutiérrez-Oliva, Soledad; Toro-Labbé, Alejandro; Michalak, Artur; Burda, Jaroslav V.

J Comput Chem ; 38(31): 2680-2692, 2017 12 05.

Article in English | MEDLINE | ID: mdl-28925001

19.

Close contacts and noncovalent interactions in crystals.

Murray, Jane S; Resnati, Giuseppe; Politzer, Peter.

Faraday Discuss ; 203: 113-130, 2017 10 13.

Article in English | MEDLINE | ID: mdl-28731117

20.

The σ-hole revisited.

Politzer, Peter; Murray, Jane S; Clark, Timothy; Resnati, Giuseppe.

Phys Chem Chem Phys ; 19(48): 32166-32178, 2017 Dec 13.

Article in English | MEDLINE | ID: mdl-29199313

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Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy.

Probing intramolecular interactions using molecular electrostatic potentials: changing electron density contours to unveil both attractive and repulsive interactions.

The Formation of σ-Hole Bonds: A Physical Interpretation.

Intramolecular Repulsion Visible Through the Electrostatic Potential in Disulfides: Analysis via Varying Iso-density Envelopes.

Interpreting the variations in the kinetic and potential energies in the formation of a covalent bond.

Can Counter-Intuitive Halogen Bonding Be Coulombic?

The π-hole revisited.

'Generation Pup' - protocol for a longitudinal study of dog behaviour and health.

The Neglected Nuclei.

Electrostatics and Polarization in σ- and π-Hole Noncovalent Interactions: An Overview.

Explicit Inclusion of Polarizing Electric Fields in σ- and π-Hole Interactions.

Industry-Informed Workshops to Develop Graduate Skill Sets in the Circular Economy Using Systems Thinking.

σ-holes and π-holes: Similarities and differences.

The σ-Hole Coulombic Interpretation of Trihalide Anion Formation.

Cyrene as a bio-based solvent for HATU mediated amide coupling.

A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions.

Is it ever ethical for nurses to lie to patients?

The influence of the metal cations and microhydration on the reaction trajectory of the N3 â O2 thymine proton transfer: Quantum mechanical study.

Close contacts and noncovalent interactions in crystals.

The σ-hole revisited.