Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (242)
Predicting the stability of ternary intermetallics with density functional theory and machine learning (2018)
Schmidt J, Chen L, Botti S, Marques MAL
Journal article
Synthesis of the zeolitic imidazolate framework ZIF-4 from the ionic liquid 1-butyl-3-methylimidazolium imidazolate (2018)
Hovestadt M, Schwegler J, Schulz P, Hartmann M
Journal article
Nuclear quantum effects on the vibrational dynamics of liquid water (2018)
Ojha D, Henao A, Kühne TD
Journal article
Dynamics of the OH stretching mode in crystalline Ba(ClO4)2·3H2O (2018)
Hutzler D, Brunner C, St Petkov P, Heine T, Fischer SF, Riedle E, Kienberger R, Iglev H
Journal article
Low-temperature binding of NO adsorbed on MIL-100(Al)-A case study for the application of high resolution pulsed EPR methods and DFT calculations (2017)
Mendt M, Barth B, Hartmann M, Poeppl A
Journal article, Original article
Explicit treatment of hydrogen bonds in the universal force field: Validation and application for metal-organic frameworks, hydrates, and host-guest complexes (2017)
Coupry DE, Addicoat MA, Heine T
Journal article
The effects of halogen elements on the opening of an icosahedral B12 framework (2017)
Gong LF, Li W, Osorio E, Wu XM, Heine T, Liu L
Journal article
Erratum: "Intense fluorescence of Au20" [J. Chem. Phys. 147, 074301 (2017) (2017)
Yu C, Harbich W, Sementa L, Ghiringhelli LM, Aprá E, Stener M, Fortunelli A, Brune H
Journal article, Erratum
Intense fluorescence of Au20 (2017)
Yu C, Harbich W, Sementa L, Ghiringhelli LM, Aprá E, Stener M, Fortunelli A, Brune H
Journal article
From isolated diamondoids to a van-der-Waals crystal: A theoretical and experimental analysis of a trishomocubane and a diamantane dimer in the gas and solid phase (2017)
Tyborski C, Meinke R, Gillen R, Bischoff T, Knecht A, Richter R, Merli A, et al.
Journal article