Molecular Physics is a well-established international journal publishing original high quality papers in chemical physics and physical chemistry. The journal covers all experimental and theoretical aspects of molecular science, from electronic structure, molecular dynamics, spectroscopy and reaction kinetics to condensed matter, surface science, and statistical mechanics of simple and complex fluids. Contributions include full papers, preliminary communications, research notes and invited topical review articles.
《分子物理学》是一本国际知名期刊，发表化学物理和物理化学方面的原创高质量论文。该杂志涵盖了分子科学的所有实验和理论方面，从电子结构、分子动力学、光谱学和反应动力学到凝聚态物质、表面科学和简单和复杂流体的统计力学。贡献包括全文，初步通信，研究笔记和邀请专题评论文章。
On the exclusion of the negative contribution to the molecular partition function
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1552802
Effect of spin contamination error on surface catalytic reaction: NO reduction by core-shell catalysts
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1522457
Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1519200
Stokes–Einstein relation in simple fluids revisited
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1643045
Condensates in annuli: dimensionality of the variance
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1587533
The influence of hydrogen- and lithium-bonding on the cooperativity of chalcogen bonds: A comparative ab initio study
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1539259
Fluorescence-lifetime-limited trapping of Rydberg helium atoms on a chip
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1600060
Variational approaches to quantum impurities: from the Fröhlich polaron to the angulon
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1567852
Constructing bilayers with tuneable ring statistics and topologies
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1605099
Comparison of modern Langevin integrators for simulations of coarse-grained polymer melts
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1649493
Molecular dynamics simulations of AlN deposition on GaN substrate
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1587025
Quantum-state-specific reaction rate measurements for the photo-induced reaction Ca+ + O2 → CaO+ + O
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1622811
Effect of (H2O)n (n\u2009=\u20091–3) clusters on H2O2\u2009+\u2009HO\u2009→\u2009HO2\u2009+\u2009H2O reaction in tropospheric conditions: competition between one-step and stepwise routes
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1524939
Kohn–Sham energy decomposition for molecules in a magnetic field
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1495849
Spin-dependent recombination of the charge-transfer state in photovoltaic polymer/fullerene blends
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1548713
Prediction of HfB3 from first-principles calculations: crystal structures, stabilities, electronic properties and hardnesses
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1527047
High-resolution spectroscopy near the continuum limit: the microwave spectrum of trans-3-bromo-1,1,1,2,2-pentafluoropropane
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1547845
The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1567848
Hydrothermal synthesis of manganese oxide and nitrogen doped graphene (NG-MnO2) nanohybrid for visible light degradation of methyl orange dye
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1567854
Ab initio modelling of molecular hydrogen rotation in the outside of carbon nanotubes
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1555340
Calculation of contact densities and Mössbauer isomer shifts utilising the Dirac-exact two-component normalised elimination of the small component (2c-NESC) method
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1530463
On approximate projection models
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1554828
Recent developments and applications of the thermodynamics of surfactant mixing
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1649489
Alchemical molecular dynamics for inverse design
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1680886
Electron impact scattering study on chlorobenzene
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1554191
Excitonically renormalised coupled-cluster theory
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1523481
Hydrogen bonding and clusters in supercritical methanol–water mixture by neutron diffraction with H/D substitution combined with empirical potential structure refinement modelling
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1633481
The role of guaiacyl moiety in free radical scavenging by 3,5-dihydroxy-4-methoxybenzyl alcohol: thermodynamics of 3H+/3e− mechanisms
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1506174
Diastereomeric discrimination by achiral substances: the effect of diverse ions in the stability of amphi-ionophore cystine-based cyclopeptide stereoisomers
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1527408
Quantum dynamics and spectra of the iodine atom in a strong laser field as calculated with the URIMIR package
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1606952
Influence of acetylation on anomeric effect in methyl glycosides
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1512723
The effect of silica nanoparticles on the pore structure of hydrating cement paste: a spatially resolved low-field NMR study
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1513581
Self-organisation in two dimensional system involving patchy and isotropic disks
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1554196
Through the looking glass and into the liquid
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1649497
Molecular order and dynamics of water in hybrid cellulose acetate–silica asymmetric membranes
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1537526
Structural differences between unannealed and expanded high-density amorphous ice based on isotope substitution neutron diffraction
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1649487
Molecular Physics
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1624309
Curriculum Vitae: Professor Tim Softley
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1619308
A personal preface to the special issue of Molecular Physics in Honour of Professor Timothy P. Softley, FRS
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1619307
Field of research
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1538626
Oxidative decomposition mechanisms of lithium peroxide clusters: an Ab Initio study
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1559955
High-order harmonic generation spectrum from two coupled Floquet resonances – a non-Hermitian formulation
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1601788
Network topology of deeply supercooled water
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1649492
Solvent effect on Al(III) hydrolysis constants from density functional theory
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1567846
Double exponential transformation for computing three-center nuclear attraction integrals
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1619854
Spin–spin coupling constants in linear substituted HCN clusters
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1537528
The structure of proton-bound Triethylammonia (X\u2009=\u2009F, Cl) Clusters
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1595203
Classical and path-integral molecular-dynamics study on liquid water and ice melting using non-empirical TTM2.1-F model
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1652774
Contact interference in molecular junctions
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2019.1584339
The deamination mechanism of the 5,6-dihydro-6-hydro-6-hydroxylcytosine and 5,6-dihydro-5-methyl-6-hydroxylcytosine under typical bisulfite conditions
来源期刊：Molecular PhysicsDOI：10.1080/00268976.2018.1541105
