研飞ivySCI (青藤学术）

Molecular Physics

短名	Mol. Phys.
Journal Impact	1.62
国际分区	PHYSICS, ATOMIC, MOLECULAR & CHEMICAL(Q3)
期刊索引	SCI Q3中科院 4 区

ISSN	0026-8976, 1362-3028
h-index	118
国内分区	化学(4区)化学物理化学(4区)化学物理原子、分子和化学物理(4区)

MOLECULAR PHYSICS 是一本成熟的国际期刊，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、表面科学以及简单和复杂流体的统计力学。投稿包括全文、初步通讯、研究笔记和受邀的专题评论文章。

期刊主页投稿网址

涉及主题	物理化学量子力学有机化学材料科学数学原子物理学分子计算化学工程类热力学生物计算机科学核物理学光学天文复合材料
出版信息	出版商: Taylor and Francis Ltd.，出版周期: Semimonthly，期刊类型: journal
基本数据	创刊年份: 1958，原创研究文献占比: 99.35%，自引率:6.20%， Gold OA占比: 11.76%
平均审稿周期	网友分享经验：平均2.0个月
平均录用比例	网友分享经验：容易

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Dynamics of spontaneous mutations: implications of guanine–cytosine tautomers on chromatin integrity

2024-9-14

Modeling the thermodynamic properties of cyclic alcohols with the SAFT- γ Mie approach: application to cyclohexanol and menthol systems

2024-9-12

In-silico screening of Staphylococcus aureus antibacterial agents based on Isatin scaffold: QSAR, molecular docking, molecular dynamics simulation and DFT analysis

2024-9-9

Phase diagram of NaCl–water by computer simulations: performance of non-polarizable force-fields

2024-9-9

Dimers between the hydrides LiH, BeH 2 , BH 3 , CH 4 , NH 3 , H 2 O and HF

2024-9-5

A computational study of possible mechanisms of singlet oxygen generation in miniSOG photoactive protein

2024-9-5

QSPR prediction of the acidities of carboxylic acids and phenols with different approaches

2024-9-5

Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection

2024-9-4

The presence of triple degeneracy in molecular potential energy surfaces can now be modelled using newly found analytical function

2024-9-4

Self-assembly of single species polygons with patchy models in 2D

2024-9-3

Sensing characteristics of novel borospherenes towards sulfur-containing gases: electronic and work function-type sensor

2024-9-2

Molecular modelling of luciferyl adenylate deprotonation in the active site of Photinus pyralis luciferase

2024-9-2

Self-chemophoresis in the thin diffuse interface approximation

2024-8-31

Superdiffusion and heterogeneous dynamics in liquid crystals by microrheology

2024-8-29

Rotationally invariant local bond order parameters for accurate determination of hydrate structures

2024-8-28

Absorption of active pharmaceutical ingredients in a protein/lipid bilayer by dissipative particle dynamics

2024-8-27

Green and Kubo forge the arrow of time

2024-8-27

Study of microscopic mechanisms in HAT-CN/NPB interface devices under consideration of trap action

2024-8-27

Synthesis, spectroscopic studies and quadratic nonlinear optical characterisation of methoxy and aldehyde-substituted calix[4]arene

2024-8-27

Pair correlations and freezing transitions in a two-dimensional system of tilted axially symmetric quadrupoles

2024-8-27

Uncovering excited state behaviours associated with electron-withdrawing CN and electron-donating TPA moieties on SAA derivatives: a theoretical study

2024-8-26

Theoretical study on the application of TaS 2 as anode material of potassium ion battery in implantable medical equipment

2024-8-26

Manifestation of the normal intensity distribution law (NIDL) in the rovibrational emission spectrum of hydroxyl radical

2024-8-26

Molecular structure and spectra of ytterbium dihalides from first principles

2024-8-22

DFT-based computational analysis of 2,4-dimethyl-6-tert-butylphenol (DTBP) as an antioxidant in aviation fuels

2024-8-22

Equilibrium and non-equilibrium molecular dynamics simulation of thermo-osmosis: enhanced effects on polarised graphene surfaces

2024-8-21

Critical surface adsorption of confined binary liquids with locally conserved mass and composition

2024-8-20

Computationally feasible bounds for the free energy of nonequilibrium steady states, applied to simple models of heat conduction

2024-8-20

Study of structural, electronic, optical and mechanical properties of PbZrO 3 under stress: a DFT approach

2024-8-20

Unravelling the hydrogen bonding patterns in telomeric G-quadruplexes: from structure to function*

2024-8-19

A comprehensive investigation on one-pot synthesis of imidazole derivatives: quantum computational analysis, molecular docking, molecular dynamics simulations and antiviral activity against SARS-CoV-2

2024-8-19

Impact of corner radius of the aperture on the accuracy of phase retrieval analysis in single-frame CDI for nanomaterials

2024-8-13

Nature of metal–bis( β -diketonate) bonds in TM(acac’) 2 (acac’ = acetylacetonate, hexafluoroacetylacetonate, hexamethylacetylacetonate; TM = Ni(II), Pd(II), Pt(II)) complexes: A density functional theory investigation

2024-8-13

Is it possible to overheat ice? The activated melting of TIP4P/Ice at solid–vapour coexistence.

2024-8-13

DFT simulations of Al-doped MoTe 2 monolayer as an HCHO and C 2 H 3 Cl gas sensor for status evaluation of a dry-type reactor in the HVDC converter station

2024-8-12

Thermal transport of alkali halide aqueous solutions: a non-equilibrium molecular dynamics investigation

2024-8-12

The variation of the temperature of maximum density of non-polar solutes in water: insights from the pressure change in a constant volume solution process

2024-8-12

Non-relativistic energy spectra of and diatomic molecules confined in a modified Scarf potential via supersymmetric WKB approach

2024-8-12

The effect of metal-to-ligand charge transfer on linear and nonlinear optical properties of hexaphyrin and metallo-hexaphyrins

2024-8-8

Electronic dynamics of donor–bridge–acceptor system with a bridge impurity incorporated in dissipative environments

2024-8-7

Schiff base derived from 2-hydroxy napthaldehyde as anti-corrosive for mild steel in acid media: experimental investigation and theoretical modelling

2024-8-6

Study on structures, stabilities, electronic and magnetic properties of zirconium-doped magnesium clusters Zr 2 Mg n

2024-8-6

Revealing the effects of pressure on periodic descriptors

2024-8-6

[N x H 3 x +1 + ][BH 4 − ] ( x = 1−5): role of polynuclear superalkalis in chemical hydrogen storage

2024-8-5

Effect of arm-length polydispersity on the phase behaviour of V-shaped molecules

2024-8-5

Butyrylcholinesterase with altered catalytic triad, acting as a promising bioscavenger against organophosphorus agents

2024-8-2

Three-fold π delocalisation bonding pattern in bowl-like B 70 cluster: an all-boron analogue of the nanographene molecule C 48 H 18

2024-8-2

Theoretical study on the effect of different positions of -CN group on photophysical properties and forward-reverse ESIPT behaviours of 2,5-bis(benzo[d]thiazol-2-yl)phenol derivatives

2024-8-1

Theoretical insights from computational analyses: solvent-polarity-associated excited state behaviours for the novel NP-BSD chemosensor

2024-8-1

Coil-to-globule collapse of active polymers: a Rouse perspective

2024-8-1

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Molecular Physics

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最新文章

Dynamics of spontaneous mutations: implications of guanine–cytosine tautomers on chromatin integrity

Modeling the thermodynamic properties of cyclic alcohols with the SAFT- <i>γ</i> Mie approach: application to cyclohexanol and menthol systems

<i>In-silico</i> screening of <i>Staphylococcus aureus</i> antibacterial agents based on Isatin scaffold: QSAR, molecular docking, molecular dynamics simulation and DFT analysis

Phase diagram of NaCl–water by computer simulations: performance of non-polarizable force-fields

Dimers between the hydrides LiH, BeH <sub>2</sub> , BH <sub>3</sub> , CH <sub>4</sub> , NH <sub>3</sub> , H <sub>2</sub> O and HF

A computational study of possible mechanisms of singlet oxygen generation in miniSOG photoactive protein

QSPR prediction of the acidities of carboxylic acids and phenols with different approaches

Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection

The presence of triple degeneracy in molecular potential energy surfaces can now be modelled using newly found analytical function

Self-assembly of single species polygons with patchy models in 2D

Sensing characteristics of novel borospherenes towards sulfur-containing gases: electronic and work function-type sensor

Molecular modelling of luciferyl adenylate deprotonation in the active site of <i>Photinus pyralis</i> luciferase

Self-chemophoresis in the thin diffuse interface approximation

Superdiffusion and heterogeneous dynamics in liquid crystals by microrheology

Rotationally invariant local bond order parameters for accurate determination of hydrate structures

Absorption of active pharmaceutical ingredients in a protein/lipid bilayer by dissipative particle dynamics

Green and Kubo forge the arrow of time

Study of microscopic mechanisms in HAT-CN/NPB interface devices under consideration of trap action

Synthesis, spectroscopic studies and quadratic nonlinear optical characterisation of methoxy and aldehyde-substituted calix[4]arene

Pair correlations and freezing transitions in a two-dimensional system of tilted axially symmetric quadrupoles

Uncovering excited state behaviours associated with electron-withdrawing CN and electron-donating TPA moieties on SAA derivatives: a theoretical study

Theoretical study on the application of TaS <sub>2</sub> as anode material of potassium ion battery in implantable medical equipment

Manifestation of the normal intensity distribution law (NIDL) in the rovibrational emission spectrum of hydroxyl radical

Molecular structure and spectra of ytterbium dihalides from first principles

DFT-based computational analysis of 2,4-dimethyl-6-tert-butylphenol (DTBP) as an antioxidant in aviation fuels

Equilibrium and non-equilibrium molecular dynamics simulation of thermo-osmosis: enhanced effects on polarised graphene surfaces

Critical surface adsorption of confined binary liquids with locally conserved mass and composition

Computationally feasible bounds for the free energy of nonequilibrium steady states, applied to simple models of heat conduction

Study of structural, electronic, optical and mechanical properties of PbZrO <sub>3</sub> under stress: a DFT approach

Unravelling the hydrogen bonding patterns in telomeric G-quadruplexes: from structure to function*

A comprehensive investigation on one-pot synthesis of imidazole derivatives: quantum computational analysis, molecular docking, molecular dynamics simulations and antiviral activity against SARS-CoV-2

Impact of corner radius of the aperture on the accuracy of phase retrieval analysis in single-frame CDI for nanomaterials

Nature of metal–bis( <i>β</i> -diketonate) bonds in TM(acac’) <sub>2</sub> (acac’ = acetylacetonate, hexafluoroacetylacetonate, hexamethylacetylacetonate; TM = Ni(II), Pd(II), Pt(II)) complexes: A density functional theory investigation

Is it possible to overheat ice? The activated melting of TIP4P/Ice at solid–vapour coexistence.

DFT simulations of Al-doped MoTe <sub>2</sub> monolayer as an HCHO and C <sub>2</sub> H <sub>3</sub> Cl gas sensor for status evaluation of a dry-type reactor in the HVDC converter station

Thermal transport of alkali halide aqueous solutions: a non-equilibrium molecular dynamics investigation

The variation of the temperature of maximum density of non-polar solutes in water: insights from the pressure change in a constant volume solution process

Non-relativistic energy spectra of and diatomic molecules confined in a modified Scarf potential via supersymmetric WKB approach

The effect of metal-to-ligand charge transfer on linear and nonlinear optical properties of hexaphyrin and metallo-hexaphyrins

Electronic dynamics of donor–bridge–acceptor system with a bridge impurity incorporated in dissipative environments

Schiff base derived from 2-hydroxy napthaldehyde as anti-corrosive for mild steel in acid media: experimental investigation and theoretical modelling

Study on structures, stabilities, electronic and magnetic properties of zirconium-doped magnesium clusters Zr <sub>2</sub> Mg <i> <sub>n</sub> </i>

Revealing the effects of pressure on periodic descriptors

[N <i> <sub>x</sub> </i> H <sub> 3 <i>x</i> +1 </sub> <sup>+</sup> ][BH <sub>4</sub> <sup>−</sup> ] ( <i>x</i> = 1−5): role of polynuclear superalkalis in chemical hydrogen storage

Effect of arm-length polydispersity on the phase behaviour of V-shaped molecules

Butyrylcholinesterase with altered catalytic triad, acting as a promising bioscavenger against organophosphorus agents

Three-fold π delocalisation bonding pattern in bowl-like B <sub>70</sub> cluster: an all-boron analogue of the nanographene molecule C <sub>48</sub> H <sub>18</sub>

Theoretical study on the effect of different positions of -CN group on photophysical properties and forward-reverse ESIPT behaviours of 2,5-bis(benzo[d]thiazol-2-yl)phenol derivatives

Theoretical insights from computational analyses: solvent-polarity-associated excited state behaviours for the novel NP-BSD chemosensor

Coil-to-globule collapse of active polymers: a Rouse perspective

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