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The Journal of Chemical Physics|December 15, 2020
Bottom-up coarse-grained models for external fields and interfacesMichael DeLyser, W G Noid
The Journal of Chemical Physics|June 15, 2022
Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C4n ringsGrégoire David, Nadia Ben Amor, Tao Zeng, et al.
The Journal of Chemical Physics|June 15, 2022
Optical signatures of the coupling between excitons and charge transfer states in linear molecular aggregatesM Manrho, T L C Jansen, J Knoester
The Journal of Chemical Physics|June 15, 2022
Novel methodology for systematically constructing global effective models from ab initio-based surfaces: A new insight into high-resolution molecular spectra analysisMichael Rey
The Journal of Chemical Physics|June 15, 2022
The rate of thermodynamic cost against adiabatic and nonadiabatic fluctuations of a single gene circuit in Drosophila embryosKun Zhang, Alexandre Ferreira Ramos, Erkang Wang, et al.
The Journal of Chemical Physics|June 15, 2022
Rheology of supercooled P-Se glass-forming liquids: From networks to molecules and the emergence of power-law relaxation behaviorBing Yuan, Bruce G Aitken, Sabyasachi Sen
The Journal of Chemical Physics|June 15, 2022
Multi-center bonds as resonance hybrids: A real space perspectiveL Reuter, N van Staalduinen, J Simons, et al.
The Journal of Chemical Physics|June 15, 2022
Direct calculation of the functional inverse of realistic interatomic potentials in field-theoretic simulationsAlexander Weyman, Vlasis G Mavrantzas, Hans Christian Öttinger
The Journal of Chemical Physics|June 15, 2022
Ultrafast bandgap narrowing and cohesion loss of photoexcited fused silicaArshak Tsaturyan, Elena Kachan, Razvan Stoian, et al.
The Journal of Chemical Physics|June 15, 2022
Development of a fully coupled diabatic spin-orbit model for the photodissociation of phenyl iodideNicole Weike, Emma Chanut, Hannes Hoppe, et al.
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