Molecular Physics

Article	Citations
A graph theoretical study of porphyrin-cored dendrimers by means of Sombor indices:a computational approach	129
DFT simulations of Al-doped MoTe 2 monolayer as an HCHO and C 2 H 3 Cl gas sensor for status ev	62
Efficient transfer of population between rotational levels in deuterated ammonia using THz transitions	51
Theoretical molecular spectroscopy of actinide compounds: the ThO molecule	50
Interaction of the anionic surfactant aerosol OT (AOT) with six polar solvents: a Born-Oppenheimer molecular dynamics study	49
Double-Hard-Sphere perturbation theory: a perturbation theory that is less dependent on the value of the hard-sphere diameter	44
Impact of donor acidity on νC≡Nand νO–Hspectral shifts in O-H···N≡C H-bonded complexes between nitriles and alcohols: a combined IR spectroscopic and quantum chemical investigati	43
2,4-dichloro-6-(1,4,5-triphenyl-1 H -imidazol-2-yl) phenol: synthesis, DFT analysis, Molecular docking, molecular dynamics, ADMET properties against COVID-19 main protea	39
Second-order corrections of orders mα 6 and mα 6 ( m/M ) to t	33
High-resolution photoelectron spectroscopy of the very weakly bound MgNe molecule	31
Adsorption properties of radionuclides on BC3: the first principles study	31
Selectively enabling linear combination of atomic orbital coefficients to improve linear method optimizations in variational Monte Carlo	28
Self-assembly of single species polygons with patchy models in 2D	28
Identification of lomustine drug by graphyne-like boron nitride: DFT approach	26
Theoretical exploration of the spin-orbit coupled potential energy surface of the Mg + –He molecular ion	26
Description of electrolytes at high temperatures within the binding mean spherical approximation (BiMSA)	24
Water at negative pressure: nuclear quantum effects	22
A scientific biography of Dr. Timothy J. Lee	22
Monte Carlo simulations of the blinking-checkers model for polyamorphic fluids	22
A -value revisited: ring flip energy of chair structures in halogenated cyclohexanes by quantum chemical methods	21
Water transport through a two-dimensional nanoporous material: is there a relationship between water flux and surface tension?	21
Prism rather than tetrahedron: low-energy structures for gaseous gold clusters Au 10 (O 2 ) n <	20
Modelling the solid–liquid–vapour phase behaviour of n -alkanes in a TPT-1 framework	20
Theoretical investigation of the spectroscopic properties of diatomic systems: ZnTe, ZnTe+, and ZnTe-	20
Diffusion Monte Carlo and PIMD calculations of radial distribution functions using an updated CCSD(T) potential for CH 5 +	19

Localisation of honeycomb rectangular torus	19
Theoretical investigations on the reaction of ethenol with triplet oxygen atom	18
CF4-n(SO3)n(n = 1–4): a new series of organic superhalogens	18
The electronic system (2)2Σ+ and (1)2Π of LiCa	18
High resolution FTIR and diode laser spectroscopy of trifluoromethylacetylene and tetrafluoromethane in a supersonic jet expansion	17
Comparison of Born–Oppenheimer approximation and electron-nuclear correlation	17
Studying the influence of electron donor-withdraw groups on the photophysical properties of 3-arylthioimidazo[1,2- a ]pyridines: experimental and theoretical study	16
Tetrel bond involving -CH3group in HnXCH3(X = F, Cl, and Br, n = 0; X = O, S, and Se, n = 1; X = N, P, and As, n = 2). Cooperativity with triel bond and beryllium bond	16
Modeling bicarbonate formation in an alkaline solution with multi-level quantum mechanics/molecular dynamics simulations	16
DFT and Monte Carlo simulations of the intermetallic compound MnZnSb	16
On expected values of some degree based topological descriptors of random Phenylene chains	16
High-resolution spectroscopic measurements of cold samples in supersonic beams using a QCL dual-comb spectrometer*	15
Fine-tuning the photophysical properties of Imidazo[1,2-a]pyridine-based dyes by the change in substituent and solvent media: DFT and TD-DFT studies	15
A model study of fluorination in the Simons process: first-principles investigation of CO adsorption on NiF 2 (001) surface	15
Ni-decorated WS 2 -WSe 2 heterostructure as a novel sensing candidate upon C 2 H	15
A hydrazine-hydroxy-pyran-2-one derivatives as a potential anticancer and antibacterial agent: synthesis, spectroscopic, SC-XRD, DFT/TD-DFT, Hirshfeld surface analysis, in silico molecular docking and	15
Molecular Physics Longuet-Higgins Early Career Researcher Prize 2021 winner’s profile	15
Interaction of promethazine hydrochloride with TX-165 in aqueous, NaCl and urea media: a tensiometry and FTIR analysis	14
Tribute to Oleg S. Vasyutinskii	14
The promotional role of Nd on the catalytic activity and hydrothermal stability of Cu-SAPO-18 catalyst for NH3-SCR reaction	14
Self-assembly and tiling of a prochiral hydrogen-bonded network: bi-isonicotinic acid on coinage metal surfaces	14
Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection	14
Aggregation phenomena and regime change in a magnetic cubic particle suspension in an alternating magnetic field via quasi-two-dimensional Brownian dynamics	14
Investigating the role of transition metals of Zn, Fe and Cu and the basis of single and double-cavity defective graphenes in the regeneration of CO 2 gas	13
Monte Carlo simulation of the planar discrete double layer for neutrally charged interfaces	13
Theoretical explorations about excited-state behaviours associated with solvent polarity effects for 1,5-dihydroxy-2,6-diphenylanthraquinone fluorophore	12
Potential application of XC3 (X = B, N) nanosheets in drug delivery of hydroxyurea anticancer drug: a comparative DFT study	12
Adsorption and hydrophobic action of different surfactants on montmorillonite Na-001 surface: a molecular simulation study	12
Dynamic graph attention network-based crystal space-enriched representation for improving material property prediction	12
A remark on hard body fluids: density versus packing fraction and excluded volume	12
Quantum propagation using Hagedorn wave packets: generalised scheme	12
Interlayer spacing control of boron nitride sheets with hydrated cations	12
Structural, dynamical and dielectric properties of water in contact with TiO 2 surfaces via molecular-dynamics simulations	11
DFT investigates the mechanisms of cross-dehydrogenative coupling between heterocycles and acetonitrile	11
Expected values of Sombor indices and their entropy measures for graphene	11
Exploring the photophysical properties of flavone-based dyes as an anti-angiogenic agent and with fluorescence emission in the near-infrared (NIR) region: a TD-DFT study	11
Xe–CO and Kr–CO complexes: potential energy surface and bound state calculations	11
Double half Heusler (DHH) alloys with a high absorption coefficient shed light on the optoelectronic, thermoelectric, and structural, properties of X 4 Fe	11
Effect of doping and vacancy defect on the sensitivity of stanene toward HCN	11
Is it possible to overheat ice? The activated melting of TIP4P/Ice at solid–vapour coexistence.	11
Micellization of phenothiazine drug and nonionic surfactant TX-165 mixture in different composition and media: surface tension and UV-visible study	11
Reverse-degree-based topological indices of fullerene cage networks	11
Energetic competition in the complexation affinity of paracetamol with water and oxalic acid	10
Carbon doped lead-free perovskite with superior mechanical and thermal stability	10
Effects of the fluid–wall interaction on phase transitions in confined fluids	10
Quantum chemical study of structure, vibrational spectra and thermodynamic properties of molecular and ionic clusters existing in vapours over strontium dichloride	10
Impacts of hydrotropes on clouding phenomena and physico-chemical parameters coupled with the triton X 100 & promethazine hydrochloride mixture	10
Nematic phases from nearly spherical mesogens: applying the approximate non-conformal (ANC) theory	10
An ab initio journey into the electronic structure of Be 3	10
Diffusion and viscosity coefficient in Lennard-Jones fluids: excess entropy scaling law	10

Exploring thermal cluster cumulant approaches for the finite temperature electronic structure problem	10
Studying some networks using topological descriptors and multi-criterion decision making	10
Molecular Physics Longuet-Higgins Early Career Researcher Prize 2022 winner’s profile	10
Can G4-like composite Ab Initio methods accurately predict vibrational harmonic frequencies?	10
Assessment of heat shock protein 90 and epidermal growth factor receptor inhibitory potential of natural compounds from Calophyllum membranaceum and Leonu	10
The effect of hydrogen bonding on two-photon absorption in pyrimidine in water clusters	9
Complexes of LiF and LiCl with LiF, LiCl, LiH, HF, HCl, H2, Li2, F2, Cl2, FCl, H2O and NH3. Structures, energies and vibrational frequ	9
Few-body dipole-octopole interactions	9
Prediction of the CH 4 -CO 2 mixture properties using SAFT-VR Mie equation of state and molecular dynamics simulations	9
Rotationally-resolved VUV-photoelectron spectroscopy of silylidyne radical	9
DFT study on the Ciclopirox anticancer drug interaction with AlN nanostructures: analysed by AIM, UV-Vis and Marcus theory of electron-transfer	9
Quasi-two-dimensional Brownian dynamics simulations of the regime change in the aggregate structures of cubic haematite particles in a rotating magnetic field	9
Optical and biological activities of organic 4-chloroaniline derivative crystals	9
On the importance and challenges of modelling extraterrestrial photopigments via density-functional theory	9
Ab initio coupled cluster study of chemical shifts of X-ray emission lines in solids: pilot applications to ytterbium halides	9
Preface to the Special Issue of Molecular Physics in Honour of Professor Wim Ubachs	9
A deep neural network for valence-to-core X-ray emission spectroscopy	9
Unlocking the potential of solvent polarity in directing ESIPT pathways of HHMB with dual hydrogen bond acceptors: a DFT/TD-DFT study	8
Adsorption of chalcogenide gas by 2H-MoSe2monolayer modified by transition metal	8
COVID antiviral drug structures and their edge metric dimension	8
The quasi bound spectrum of H 2	8
Revising the performance of the Landau–Zener surface hopping on some typical one-dimensional nonadiabatic models	8
A stimulated Raman loss spectrometer for metrological studies of quadrupole lines of hydrogen isotopologues	8
Theoretical insights from computational analyses: solvent-polarity-associated excited state behaviours for the novel NP-BSD chemosensor	8
Concentric dual π delocalisation and conflicting aromaticity in bowl-like B 56 cluster: an all-boron analogue of circumbiphenyl C 38	8
First-principles investigations of structural, elastic, electronic, and optical properties of silicon-doped TiO 2 for photovoltaic applications	8
Signatures of ‘Entanglement Transitions’ in a frustrated 4-spin plaquette system with multi-spin interactions	8
Synthesis, spectroscopic characterisation, DFT insight, and molecular docking studies of a coumarin derivative 3-acetyl-2-oxo-2H-chromene-6-carbohydrazide	8
Electronic dynamics of donor–bridge–acceptor system with a bridge impurity incorporated in dissipative environments	8
Solution of the ‘sign problem’ in the path integral Monte Carlo simulations of strongly correlated Fermi systems: thermodynamic properties of helium-3	8
Influence of π-electron conjugation outside the aromatic ring on the methyl internal rotation of 4-methyl-5-vinylthiazole	8
Incremental scheme for high level electronic correlation calculations of large molecular clusters	8
First-principles study of structure and bonding in Ni-group transition metal carbonyls with terminal tin chalcogenides [M(CO) 3 SnX] (M = Ni, Pd, Pt; X = O, S, Se, a	8
First-principles investigation on the sensitivity of germanene/graphene heterostructure toward methane gas	8
Exploring alternative approaches to improve the convergence pattern in solving the coupled-cluster equations	8
An ab initio study of the electronic structure and spectroscopy of CO + and CS + diatomic cations	8
Harnessing chromatic dispersion for blood cancer detection using photonic crystal fibre sensors	8
Lamivudine adsorption on the novel borospherene as a promising drug delivery system: a DFT study on HIV therapy	8
Synthesis, investigation of the crystal structure, DFT and in silico medicinal potential of nicotinonitrile substituted quinazolindione as potential anticancer scaffold	8
Strain effects on electronic structure and optics of al-Doped monolayer GaS	8
Critical surface adsorption of confined binary liquids with locally conserved mass and composition	8
Exploring the reduction reaction mechanism of CO2 on graphene-supported metal dimers using density functional theory	7
Structural characterisation of hydrolysed Cm(III)-EDTA solution species under alkaline conditions: a TRLFS, vibronic side-band and quantum chemical study	7
Restoring permutational invariance in the Jordan–Wigner transformation	7
Ion trap study of the isotope exchange in the low-temperature collisions of OD - anions with HD	7
Capturing interference variations of atomic motion in vibrational modes by non-resonant Raman images	7
Diffusion limited aggregation, resetting and large deviations of Brownian motion	7
First-principles calculations of hexagonal boron nitride as an electrode material for zinc-ion batteries	7
Valence shell electronically excited states of imidazole and 1-methylimidazole	7
Structural analysis of superparamagnetic colloid aggregates confined in spherical cavities under external magnetic field	7
Topological study on degree based molecular descriptors of fullerene cages	7
Probing radical versus proton migration in the aniline cation with IRMPD spectroscopy	7
Vapour-liquid equilibrium and low-temperature liquid-crystal phase diagram of discotic colloids	7
Coulomb effect on elastic electron scattering by hydrogen atom and hydrogen-like ions in their metastable 2s state in the 511–770 KeV energy range	7
Adsorption sensitivity and sensing performance of Au-doped Ti 3 C 2 O 2 gas sensor for fault ch	7
Computationally feasible bounds for the free energy of nonequilibrium steady states, applied to simple models of heat conduction	7
Second-order group contribution method for T c , P c	7
In silico drug derivatives for KRAS-G12D: free-energy surfaces in aqueous solution by well-tempered metadynamics simulations	7
Configuration localised states from orthogonal polynomials for effective potentials in 3D systems vs. algebraic DVR approaches	7
Magnetic response of prismane and the triangular prism-like Bi 6 2− and Te 6	7
Frontal polymerisation of acrylic acid tuned by micellar aggregates in a deep eutectic solvent	7
Reduced-dimensional quantum dynamic study of the F – +CH3I→FCH3+I – system	7
Performance of Lambda functions in atomic Hartree-Fock calculations	7
Partial-wave decomposition of the one-electron properties of the LiH molecule computed with explicitly correlated basis sets	7
Sweetness and light: computation of the rotational spectra of proto-saccharides	7
Synthesis, crystal structure, Hirshfeld surface, biological evaluation, DFT and molecular docking studies of unsymmetrical 3-allyl-5-ethyl-1,4-dihydro-2,6-dimethyl-4-phenyl pyridine-3,5-dicarboxylate	7
Ground and excited S states of three-body systems using a numerical tensor method	7
Recent advances in relativistic excitation of atomic hydrogen	7
A systematic study on interplay between intermolecular hydrogen bonding and aromaticity	7
Computational insights into the structure, interaction, and hydrogen bond dynamics of morpholinium-based amino acid ionic liquids	7
Using an uncontracted inter-molecular basis to assess the convergence of contracted inter-molecular bases when computing the spectrum of H 2 O-CO	7
Correction	7
Self-chemophoresis in the thin diffuse interface approximation	7
3D-structure-attention graph neural network for crystals and materials	7
Study of diffusion coefficients and molecular adsorption laws for the slit-hole coal model under the thermal-gas-liuid coupling effect with hot nitrogen injection	6
First-principles insight into the structural and optoelectronic properties of Sn- and Pb-based hybrid halide perovskites for photovoltaic applications	6
Molecular dynamics study of the scratching property of the tetrahedral amorphous carbon coating on the piston ring	6
On prediction of the fractional vibrational energies for diatomic molecules with the improved Tietz potential	6
Ground state energy for confined diatomic molecules: case of Morse interaction	6
The effect of metal-to-ligand charge transfer on linear and nonlinear optical properties of hexaphyrin and metallo-hexaphyrins	6

On predicting bonding patterns of small clusters of alkaline-earth (Be, Mg) and triel (B, Al) fluorides: a balance between atomic size and electron-deficient character	6
How well does the Tang-Toennies potential represent the thermodynamic properties of argon?	6
Theoretical exploration: the influence of five bridging methods on energetic benzene, imidazole and 1,2,4-triazole	6
Fundamental vibrational frequencies of pnictogen ( Pn ) containing linear triatomic anions: OC Pn - and SC	6
Stability and electronic sensitivity of Cu n M (M = Co, Mn, Pd, Au and V; n  = 3–8) nanoclusters towards HCOOH molecule: a computation	6
Theoretical investigation on excited state intramolecular proton transfer of 5-hydroxy-6,7,4'-trimethoxyflavone: state specific solvation approach versus linear response	6
Charge-transfer-to-solvent states provide a sensitive spectroscopic probe of the local solvent structure around anions	6
Second quantisation for unrestricted references: formalism and quasi-spin-adaptation of excitation and spin-flip operators	6
Synthesis and spectroscopic investigation of N-allyl-N-ethylformamide: computational aspects of DFT, molecular docking and drug-likeness analyses	6
Ultraviolet photoabsorption in the B 3 Σ - − X 3 Σ	6
Performance of density-functional-theory and random-phase-approximation methods on the study of transition-metal clusters: the Ta n clusters as an example	6
Measurements of air-broadening parameters of water vapour transitions in the 5090–7490 cm−1 spectral region	6
Electrostatic trapping vibrationally excited Rydberg NO molecules	6
On a conjecture concerning the Fisher–Widom line and the line of vanishing excess isothermal compressibility in simple fluids	6
Cold CAS ion trap – 22 pole trap with ring electrodes for astrochemistry	6
Coil-to-globule collapse of active polymers: a Rouse perspective	6
First-principles calculations to investigate electronic, magnetic, and optical properties at (110) and (111) surfaces of Ni adsorption on CdO	6
Valence band structure of biaxial strained Germanium for hole transport calculation	6
C-doped zigzag blue phosphorene nanoribbons for GMR, rectification behaviour and NDR based devices	6
Pair and mediated RET between two chiral molecules	6
Atmospheric implications of the formation of water – sulphuric acid and water – methanesulfonic acid binary clusters	6
Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities	6
HIV-1 immature virion network and icosahedral capsids self-assembly with patchy spheres	5
Potential energy surfaces and bound state calculations for Ne–CO complex: rovibrational spectra and isotope effects	5
Calculation of the energy of a two-dimensional hydrogen molecule	5
Cooperativity and reactivity properties of medium-sized boron clusters: a combined density functional theory and information-theoretic approach study	5
A simple model for density anomaly and excess thermodynamic properties of alcohol-like in water-like mixture	5
Understanding ground and excited-state molecular structure in strong magnetic fields using the maximum overlap method	5
Cluster size distributions, electronic characteristics and geometric structures of mixed cationic clusters of cesium and sulfur hexafluoride doped in helium	5
Molecular charge distributions in strong magnetic fields: a conceptual and current DFT study	5
Understanding the surface tension reduction of the water/air interface due to the synergistic effect of the SDS-CTAB mixture: A molecular dynamics simulation study	5
HOAX: a hyperparameter optimisation algorithm explorer for neural networks	5
Study of the aggregation, interaction, and thermodynamic properties of the dodecyltrimethylammonium bromide & cefixime trihydrate mixture in sodium salts solution at numerous temperatures	5
On the use of property-oriented basis sets for the simulation of vibrational chiroptical spectroscopies	5
The super-exchange interaction between single-atom dimers and clusters increases reactive activity for hydrogen evolution reaction	5
Second virial coefficient, Boyle temperature and equation of state of van Hove fluids with a downward concavity attractive parabolic-well	5
The feasibility of laser cooling: an investigation of ab initio of 88Sr35Cl including the hyperfine structure	5
Quantum description of magnetocaloric effect, thermo-magnetic properties and energy spectra of LiH, TiH, and ScH diatomic molecules under the influence of magnetic and Aharonov-Bohm (AB) flux fields w	5
Enthalpy of dissociation of the mixed methane + propane sII hydrate along the three-phase equilibrium line	5
Theoretical study on ESIPT mechanism for 5’-amino-2-(2’-hydroxyphenyl) benzimidazole probe in detecting phosgene	5
Performance of the spin-component-scaled methods for energy bands	5
Structural modification in symmetric three-body molecular ions within the Borromean binding regime	5
Topological indices of line graph of transition metal tetra cyano benzene organic network	5
An ab-initio deep neural network potential for accurate large-scale simulations of the muscovite mica-water interface	5
Quantum calculation of the pressure broadening of H and K lines of Ca + calcium ion in a gaz of ground-	5
Sub-percent accuracy for the intensity of a near-infrared water line at 10,670 cm−1: experiment and analysis	5
Atomistic descriptor optimization using complementary Euclidean and geodesic distance information	5
Consequences of approximating electron correlation effects	5
Classical density functional theory for alkane adsorption in cationic Faujasites: comparison with grand canonical Monte Carlo simulations	5
Molecular mechanism of nitrocefin hydrolysis by the L1 metallo-β-lactamase: a benchmark study	5
Effective electrostatic forces between two neutral surfaces with surface charge separation: valence asymmetry and dielectric constant heterogeneity	5
Global modelling of the observed line positions for the spectra of ultraviolet bands: Dunham coefficients for the A2Σ+ excited state of the 16OH molecule	5
Introduction to the Péter Szalay special issue	5
Adsorption performance and gas sensing of the Ru atomic catalyst on GaN sheets to transformer oil dissolved gases	5
Stability analysis of the Lippmann–Schwinger equation	5
Efficient evaluation of path integrals for equilibrium and dynamical properties via contraction of closed and open chains	5
Study of the 15N14N18O absorption bands in the 4200–6500 cm−1 region	5
Geometrical, thermochemistry and electronic properties of hydrogenated germanium clusters (GemHn, m = 3–4, n = 0–10) and their anions	5
Transport properties of 2D Lennard–Jones fluid: effect of particle size polydispersity	5
Pair correlations and freezing transitions in a two-dimensional system of tilted axially symmetric quadrupoles	5
Vibrationally- and rotationally-resolved photoelectron imaging of cryogenically-cooled SbO 2 –	5
Uncovering excited state behaviours associated with electron-withdrawing CN and electron-donating TPA moieties on SAA derivatives: a theoretical study	5
The reaction of methylidyne with methane: role of the quartet electronic state	5
Testing the limitations of harmonic approximation in the determination of Raman intensities	5
First principle investigation on properties of TaSe 2 monolayer as an anode material for Mg and Ca-ion batteries	5
Theoretical analysis on strontium-tellurium content dependencies of defect structures and spin Hamiltonian parameters for strontium-tellurium titanium borate glasses with V2O5 do	5
Manifestations of the possible thermodynamic origin of supercooled water's anomalies in non-classical vapour nucleation at negative pressures	5
Theoretical study on the spectroscopic and transition properties of phosphorus dimer cation	5
Experimental investigation and molecular simulations of adsorption of MeOH-DMC Azeotrope onto α-Al 2 O 3 (0 0 1) Surface	5
Graph neural network with self-attention for material discovery	5
Energies of some halogen molecules for the improved Tietz potential model	5
Theoretical investigation of the nitro-and amino-substituted 4-(1H-1,2,4-triazole-1-yl) pyrimidine	5
Comparing perturbative and commutator-rank-based truncation schemes in unitary coupled-cluster theory	5
The impact of sodium salts on the physicochemical properties of the mixture of tetradecyltrimethylammonium bromide and metformin hydrochloride drug at several temperatures	5
Incorrect asymptotics of dispersion energy in dispersion-augmented density functional approximations	4
Hydrogen and halogen bonds formed by MCO3(M = Zn, Cd) and their enhancement by a spodium bond	4
Electronic circular dichroism of proteins computed using a diabatisation scheme	4
Molecular insights into the impact of nanotube confinement on protein α-helical structures	4
Torsional IR spectra of three conformers of the resorcinol molecule	4
The dynamic studies of the C +  + HD reaction using the time-dependent wave packet method	4
Spectroscopy of triatomic [Si, P, O] molecules	4
Effects of the long-range neutrino-mediated force in atomic phenomena	4
A data-driven exploration of the complexity of the phosphorus-centered pnictogen bonds	4
Computational investigation of hydrazone derivatives as potential COVID-19 receptor inhibitors: DFT analysis, molecular docking, dynamics simulations, topological indices and ADMET profiling	4
Flow-induced orientation transition in charged diblock-copolymer melts	4
The Zeeman effect in CO+ observed with rotational action spectroscopy	4
Theoretical investigation of the mechanical properties of single- and multi-layer CH3NH3XI3 (X = Pb, Sn, Mn) perovskites at various temperatures and pressures	4
Research on the influence of single-crystal germanium cutting parameters based on molecular dynamics	4
Closed-form expressions for unitaries of spin-adapted fermionic operators	4
Frequency stabilisation and SI tracing of mid-infrared quantum-cascade lasers for precision molecular spectroscopy	4
Interaction potential of the HSO – He weakly bound complex and rovibrational levels	4
Channel-specific core-valence projectors for determining partial Auger decay widths	4
A theoretical study of the Pd10Sb3 single-atom alloy cluster for CO oxidations	4
On the origin of bonding in metals: lithium as a case study	4
Practical guide to the statistical mechanics of molecular polaritons	4