RSC – Faraday Discuss. latest articles
- Permutation Symmetry in Spin Adapted Many-Body Wave Functions 4月 22, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Maru Song
- Computation-guided engineering of distal mutations in an artificial enzyme 4月 21, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Fabrizio Casilli
- Stability and Structure of the Aqueous LiTFSI-LiCl Interface 4月 18, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Hannah Wood
- Enhancement of essential cofactors for in vivo biocatalysis 4月 15, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Pattarawan Intasian
- Mapping inorganic crystal chemical space 4月 15, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Hyunsoo Park
- Towards Efficient Quantum Computing for Quantum Chemistry: Reducing Circuit Complexity with Transcorrelated and Adaptive Ansatz Techniques 4月 15, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Erika Magnusson
- Quantum Embedding for Molecules with Auxiliary Particles - The Ghost Gutzwiller Ansatz 4月 15, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Carlos Mejuto-Zaera
- Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation 4月 15, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Anusha Pradhan
- What can Quantum Information Theory Offer to Quantum Chemistry? 4月 11, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Damiano Aliverti-Piuri
- Orbital optimisation in xTC transcorrelated methods 4月 10, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Daniel Kats
- Force and stress calculation with neural network wavefunction for solids 4月 9, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Yubing Qian
- On the notion of strong correlation in electronic structure theory 4月 9, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Brad Ganoe
- Dispersions of magnetic nanoparticles in Water/ Ionic Liquid mixtures 4月 8, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Thiago Fiuza
- Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations 4月 8, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Jake Seymour
- Chain-length dependent organisation in mixtures of hydrogenous and fluorous ionic liquids 4月 4, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Naomi Elstone
- Transient IR Spectroscopy of Optically Centrifuged CO2 (R186−R282) and Collision Dynamics for the J=244−282 States 4月 4, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Michael E. Ritter
- A Perspective on the Future of Quantum Chemical Software: The Example of the ORCA Program Package 4月 3, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Frank Neese
- Cumulant Green's function methods for molecules 4月 3, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Pierre-Francois Loos
- Spinless formulation of linearized adiabatic connection approximation and its comparison with second order N-electron valence state perturbation theory 4月 2, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Yang Guo
- Magnetic structure of a multiferroic compound: Cu2OCl2 3月 28, 2024Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039 […]Julien Lévèque
- Permutation Symmetry in Spin Adapted Many-Body Wave Functions 4月 22, 2024