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Guest editorial for the Dave Parker Festschrift issue of molecular physicsMolecular physics527 dayssaveRefWorksSFX Info
Photodissociation branching ratios for several absorption bands of 12C16O from 108,500 to 109,220 cm−1Molecular physics527 dayssaveRefWorksSFX Info
Characterisation and modeling of a pulsed molecular beamMolecular physics527 dayssaveRefWorksSFX Info
Rydberg spectra of singlet metastable states of O2Molecular physics527 dayssaveRefWorksSFX Info
Extreme ultraviolet time-resolved photoelectron spectroscopy of aqueous aniline solution: enhanced surface concentration and pump-induced space charge effectMolecular physics527 dayssaveRefWorksSFX Info
Direct observation of reactive rainbow in F + CH3D→ CH3(00) + DF(v = 4)Molecular physics527 dayssaveRefWorksSFX Info
Chemical activation of oxygen molecule by quantum electronic state selected vanadium cation: observation of spin–orbit state effectsMolecular physics527 dayssaveRefWorksSFX Info
Alignment and dissociation of electronically excited molecular hydrogen with intense laser fieldsMolecular physics527 dayssaveRefWorksSFX Info
Comparison of donors julolidine and triphenylamine in TCF-based NLOphoric dyes– a DFT approachMolecular physics558 dayssaveRefWorksSFX Info
Study on the interfacial thermal resistance between CNTs and Al with a TTM-MD modelMolecular physics558 dayssaveRefWorksSFX Info
UV polarisation spectroscopy of 1,4-diethynylbenzeneMolecular physics558 dayssaveRefWorksSFX Info
Aggregation, interaction and thermodynamic characteristics of cationic surfactant + moxifloxacin hydrochloride mixture in aquatic solutions of mono-/di-hydroxy compoundsMolecular physics558 dayssaveRefWorksSFX Info
Relativistic study on the scattering of electrons and positrons from atomic iron at energies 1  eV – 10 keVMolecular physics558 dayssaveRefWorksSFX Info
Theoretical prediction of Xe-containing polymerMolecular physics558 dayssaveRefWorksSFX Info
Post extraction inversion slice imaging for 3D velocity map imaging experimentsMolecular physics558 dayssaveRefWorksSFX Info
Zinc oxide nanoclusters and nanoparticles as a drug carrier for cisplatin and nedaplatin anti-cancer drugs, insights from DFT methods and MC simulationMolecular physics558 dayssaveRefWorksSFX Info
Ab initio investigations on the interaction of CO2 and non-metallic superalkalis: structure, stability and electronic propertiesMolecular physics558 dayssaveRefWorksSFX Info
On highly accurate, bound state calculations of the molecular diatomic ionsMolecular physics558 dayssaveRefWorksSFX Info
Study of vibrational spectra and dissociation energies in dihaloacetylenes with equivalent and different halogens: an algebraic approachMolecular physics558 dayssaveRefWorksSFX Info
State-to-state predissociation dynamics of hydroxyl radical via the A2Σ+ stateMolecular physics558 dayssaveRefWorksSFX Info
A computational investigation of the equilibrium geometries, energetics, vibrational frequencies, infrared intensities and Raman activities of C2O y (y = 3, 4) speciesMolecular physics558 dayssaveRefWorksSFX Info
Vibrational recognition of pyramidal formamide molecules in selected salt solutionsMolecular physics558 dayssaveRefWorksSFX Info
Evaporation driven by conductive heat transportMolecular physics558 dayssaveRefWorksSFX Info
Disentangling the H2 E, F(1Σ g +) (v′=0−18)←X(1Σ g +)(v″=3−9)(2+1) REMPI spectrum via 2D velocity-mapped imagingMolecular physics558 dayssaveRefWorksSFX Info
Photoelectron angular distributions from resonant two-photon ionisation of adiabatically aligned naphthalene and aniline moleculesMolecular physics558 dayssaveRefWorksSFX Info
Adsorption properties of NH3, NO, and O2 molecules over the FeO (100) and oxygen-defected FeO (100) surfaces: a density functional theory studyMolecular physics558 dayssaveRefWorksSFX Info
On the possibility of frozen nucleiMolecular physics558 dayssaveRefWorksSFX Info
Relaxation processes in non-reactive collisions of H2 and N2 at high translational energiesMolecular physics558 dayssaveRefWorksSFX Info
Thermal stability and detonation character of nitroso-substituted derivatives of cubaneMolecular physics558 dayssaveRefWorksSFX Info
Theoretical study on chemical fixation of carbon dioxide with aziridine into cyclic carbamate catalysed by purine/HI systemMolecular physics558 dayssaveRefWorksSFX Info
Anomalous microion distribution of concentrated electrolytes in the underscreening regime: Monte Carlo simulationsMolecular physics558 dayssaveRefWorksSFX Info
Photoelectron angular distributions in photodetachment from polarised d-like states: the case of HO2−Molecular physics558 dayssaveRefWorksSFX Info
First-principles investigation of the structural, elastic, anisotropic and electronic properties of Pmma-carbonMolecular physics558 dayssaveRefWorksSFX Info
Exploring a spectral filtering approach to electronic structure calculationsMolecular physics558 dayssaveRefWorksSFX Info
Vibrational Hamiltonian of methylene chloride using U(2) Lie algebraMolecular physics558 dayssaveRefWorksSFX Info
Shedding light on the factors controlling the mechanism, selectivity and reactivity of the Diels–Alder reactions between substituted pyridinones and ethylenes: a MEDT studyMolecular physics558 dayssaveRefWorksSFX Info
Reactive atomistic simulations of Diels-Alder-type reactions: conformational and dynamic effects in the polar cycloaddition of 2,3-dibromobutadiene radical ions with maleic anhydrideMolecular physics558 dayssaveRefWorksSFX Info
Electrostatic interactions in water: a nonlocal electrostatic approachMolecular physics558 dayssaveRefWorksSFX Info
Hydrogen storage on pristine and Li-decorated BC6N monolayer from first-principles insightsMolecular physics558 dayssaveRefWorksSFX Info
Characterisation of the first electronically excited state of protonated acetylene C2H3 + by coincident imaging photoelectron spectroscopyMolecular physics558 dayssaveRefWorksSFX Info
Computational analysis of nonenzymatic deamidation of asparagine residues catalysed by acetic acidMolecular physics558 dayssaveRefWorksSFX Info
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The interplay between anion-π and H-bonding interactions in X−···s-Triazine···(HF)n(HCl)3-n (X = F−, Cl− and CN−) complexes: DFT and DFT-D studyMolecular physics558 dayssaveRefWorksSFX Info
Photoelectron imaging of the SO3 anion: vibrational resolution in photoelectron angular distributions*Molecular physics558 dayssaveRefWorksSFX Info
Flexoelectric and dielectric effects in uniform lying helix cholesteric liquid crystalsMolecular physics558 dayssaveRefWorksSFX Info
Clustering and multiphoton effects in velocity map imaging of methyl chlorideMolecular physics558 dayssaveRefWorksSFX Info
Calculation of mean excitation energies of 3d-elements and their cationsMolecular physics558 dayssaveRefWorksSFX Info
Density functional theory study on the adsorption of CO on X= (Mn and Tc)-doped graphene sheets in the presence and absence of static electric fieldsMolecular physics558 dayssaveRefWorksSFX Info
Effect of hard particles on the ferromagnetic transition in dipolar fluids, a simulation studyMolecular physics558 dayssaveRefWorksSFX Info
Energy spectra and thermal properties of diatomic molecules in the presence of magnetic and AB fields with improved Kratzer potentialMolecular physics558 dayssaveRefWorksSFX Info
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