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Physical chemistry chemical physics : PCCP
(ISSN: 1463-9076)
Table of Contents
From Physical chemistry chemical physics : PCCP
2023 -
A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore.
Ab initio study of the topological itinerant transport properties observed between excited edge states in a 2D compound with the Mn15B16Ni composition.
Surface termination and strain-induced modulation of the structure and electronic properties in 2D perovskites (Cs2BCl4 & CsB2Cl5, B = Pb, Sn): a first-principles study.
Tunable electronic band structure and magnetic anisotropy in two-dimensional Dirac half-metal MnBr3 by external stimulus: strain, magnetization direction, and interlayer coupling.
Crosslinking modification and hydrogen bonding synergy to achieve high breakdown strength and energy density of PMMA-co-GMA/PVDF dielectric composite films.
Influence of ligand variation on the deactivation process of metal-to-ligand charge transfer excited states in quadruply bonded dimolybdenum complexes.
Coexistence of ferromagnetic-antiferromagnetic ground state, exchange bias effect and bandgap narrowing in Cr-doped ZnO nanocrystals derived by simple chemical method.
Investigating the kinetics of the intramolecular H-migration reaction class of methyl-ester peroxy radicals in low-temperature oxidation mechanisms of biodiesel.
Band alignment type I, II transformations in Hf2CO2/MoS2 heterostructures using biaxial strain, external electric field, and interlayer coupling: a first principal investigation.
Kinetics of associative detachment of O- + N2 and dissociative attachment of e- + N2O up to 1300 K: chemistry relevant to modeling of transient luminous events.
Anisotropic structure deformation of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine under high pressure: vibration spectra calculation and resolution based on AIMD simulation.
Elucidation of the synergistic effects of 3d metal (M = Cu, Co, and Ni) dopants and terminations (T = -O- and -OH) of Ti3C2Tx MXenes for urea adsorption ability via DFT calculations and experiments.
Structural, electronic, optical, elastic, thermodynamic and thermal transport properties of Cs2AgInCl6 and Cs2AgSbCl6 double perovskite semiconductors using a first-principles study.
The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics.
Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water.
Addressing electronic and dynamical evolution of molecules and molecular clusters: DFTB simulations of energy relaxation in polycyclic aromatic hydrocarbons.
Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism.
