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Sparse tensor based nuclear gradients for periodic Hartree–Fock and low-scali...
The development of novel double-hybrid density functionals offers new levels of accuracy, and is leading to fresh insights into the fundamental properties of matter.... -
Structure-function studies of Replication Protein A, a crucial player in geno...
Replication protein A (RPA), the eukaryotic ssDNA binding protein, is a heterotrimeric protein required for almost all aspects of cellular DNA metabolism. RPA binds... -
Characterising Early Iron Age Indian Iron Smelting Technology: neutron analysis
Recent archaeological research, supported by radiocarbon dates, indicates that iron production in India can now be dated to the earlier part of the 2nd millennium BC, pre-dating... -
Structure-function studies of Replication Protein A and its complexes with DNA.
Replication protein A (RPA), the eukaryotic ssDNA binding protein, is a heterotrimeric protein required for almost all aspects of cellular DNA metabolism. RPA binds... -
Isobaric-Isothermal Monte Carlo Simulations of Bulk Liquid Water from MP2 and...
Methods based on the second order Møller–Plesset perturbation theory (MP2) and the Random Phase Approximation (RPA) have emerged as practicable and reliable approaches to...
