Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (250)
How back reaction, hydrogen transport, and capillarity control the performance of hydrogen release from liquid organic carriers (2026)
Nizkaia T, Solymosi T, Malgaretti P, Wasserscheid P, Harting J
Journal article
Analyzing the response of exchange–correlation potentials of chain-like molecules to electric fields by Kohn–Sham inversion and evaluation of the response within the random phase approximation (2025)
Trushin E, Mandalia R, Görling A
Journal article
Mixed Gaussian and plane wave basis set implementation of the random phase approximation and of σ-functionals within the program package CP2K (2025)
Mandalia R, Trushin E, Stein F, Kühne TD, Görling A
Journal article
Formation of hexagonal binary crystals in additive hard disk mixtures (2025)
Rayavarapu AN, Panchi N, Engel M, Bommineni PK
Journal article
Quantum tunneling and anti-tunneling across entropic barriers (2025)
Malgaretti P, Petiziol F, Schnell A
Journal article
Characterization of the hemithioindigo photoswitch and its derivatives with x-ray photoabsorption and photoemission spectroscopies (2025)
Oberti L, Avaldi L, Bolognesi P, Bonanomi M, Borrego-Varillas R, Callegari C, Carlini L, et al.
Journal article
Hydrogen diffusion in the confinement between graphene and Ni(111): Full-dimensional simulation of nuclear quantum effects (2025)
Steffen J
Journal article
Assessment of RPA and σ-functional methods for the calculation of dipole moments and static polarizabilities and hyperpolarizabilities (2025)
Mandalia R, Fauser S, Trushin E, Görling A
Journal article
Efficient treatment of long-range electrostatics in charge equilibration approaches (2025)
Savvidi K, Ahrens-Iwers L, Colombi Ciacchi L, Zahn D, Müser MH, Meißner RH
Journal article
Highly precise values for the energy ratios underlying the Lieb-Oxford bound and the convexity conjecture for the adiabatic connection (2025)
Fauser S, Trushin E, Görling A
Journal article