Pat Lane

Engineering · Physical Sciences

41h-index8.2kcitations116works0.02yr avg
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Research Topics

Energetic Materials and Combustion(33), Crystallography and molecular interactions(28), Advanced Chemical Physics Studies(26), Chemical Thermodynamics and Molecular Structure(23), Thermal and Kinetic Analysis(14)

Publications116 total

Assessment for recruitment
2023· 13 cited
The role of ‘Excluded’ electronic charge in noncovalent interactions
Molecular Physics·2018· 16 cited
Sensitivities of ionic explosives
Molecular Physics·2016· 11 cited
Comparative analysis of electrostatic potential maxima and minima on molecular surfaces, as determined by three methods and a variety of basis sets
Journal of Computational Science·2016· 84 cited
Electrostatic Potentials, Intralattice Attractive Forces and Crystal Densities of Nitrogen-Rich C,H,N,O Salts
Crystals·2016· 27 citedOpen Access
Some interesting aspects of N-oxides
Molecular Physics·2013· 31 cited
Revisiting the seemingly straightforward hydrogen cyanide/hydrogen isocyanide isomerisation
Molecular Physics·2013· 18 citedOpen Access
Computational analysis of relative stabilities of polyazine N-oxides
Structural Chemistry·2013· 44 cited
Computational Characterization of Two Di-1,2,3,4- tetrazine Tetraoxides, DTTO and iso-DTTO, as Potential Energetic Compounds
Central European Journal of Energetic Materials·2013· 19 cited
Tricyclic polyazine n-oxides as proposed energetic compounds
Central European Journal of Energetic Materials·2013· 14 cited
The average local ionization energy as a tool for identifying reactive sites on defect-containing model graphene systems
Journal of Molecular Modeling·2012· 39 cited
Basic science * 232. Certolizumab pegol prevents pro-inflammatory alterations in endothelial cell function
Lara D. Veeken·2012· 1 citedOpen Access
σ-Holes, π-holes and electrostatically-driven interactions
Journal of Molecular Modeling·2011· 629 cited
Computational Characterization of a Potential Energetic Compound: 1,3,5,7-Tetranitro-2,4,6,8-tetraazacubane
2011· 86 cited
Enhanced detonation sensitivities of silicon analogs of PETN: reaction force analysis and the role of σ–hole interactions
Theoretical Chemistry Accounts·2010· 32 cited
Reaction force analyses of nitro-aci tautomerizations of trinitromethane, the elusive trinitromethanol, picric acid and 2,4-dinitro-1H-imidazole
Theoretical Chemistry Accounts·2009· 31 cited
Electrostatically driven complexes of SiF<sub>4</sub> with amines
International Journal of Quantum Chemistry·2009· 44 cited
Intra- and intermolecular electrostatic interactions and their significance for the structure, acidity, and tautomerization behavior of trinitromethane
The Journal of Chemical Physics·2009· 19 cited
Situational Judgement Test
PsycTESTS Dataset·2009
Computational Investigation of Amine Complexes of 2,4,6-Trinitrotoluene
Central European Journal of Energetic Materials·2009· 10 cited
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Frequent Co-authors

Peter Politzer(43), Jane S. Murray(36), Monica C. Concha(11), Tore Brinck(6), M. Edward Grice(6), Timothy Clark(3), Fiona Patterson(3), Yuguang Ma(2), Kevin E. Riley(2), Zenaida Peralta-Inga(2), Eamonn Ferguson(2), Jorge M. Seminario(2), Per J. R. Sjöberg(2), Ronald L. Greene(2), Pavel Hobza(1), Kirn Paulsen(1), Sylke Boyd(1), Charles J. O’Connor(1), Kathleen Farrell(1), Joy Martlew(1)