Results 211 to 220 of about 5,233,673 (285)

Magnetism and hidden quantum geometry in charge neutral twisted trilayer graphene. [PDF]

Sci Rep
Wania Rodrigues A, Bieniek M, Miravet D, Hawrylak P.   +3 more
europepmc   +1 more source

Surface Adsorption at the Thermodynamic Limit Using Periodic DLPNO-MP2 Theory: A Study of CO on MgO at Dilute and Dense Coverages. [PDF]

J Chem Theory Comput
Zhu A, Komonvasee P, Nejad A, Tew DP.
europepmc   +1 more source

Any Topological Recursion on a Rational Spectral Curve is KP Integrable. [PDF]

Commun Math Phys
Alexandrov A, Bychkov B, Dunin-Barkowski P, Kazarian M, Shadrin S.   +4 more
europepmc   +1 more source

First principles simulations of transition metals for diodes: challenges and approaches to overcome inaccuracies in calculations. [PDF]

Nanoscale Adv
Petroselli M, Mohebbi E, Pavoni E, Stipa P, Mencarelli D, Laudadio E, Pierantoni L.   +6 more
europepmc   +1 more source

The Role of Charge Resonances in the Benzene Dimer. [PDF]

ACS Phys Chem Au
Balbi A, Aagaard AR, Folkestad SD, Høyvik IM.   +3 more
europepmc   +1 more source

A Mathematical Analysis of IPT-DMFT. [PDF]

Commun Math Phys
Cancès E, Kirsch A, Perrin-Roussel S.
europepmc   +1 more source

A Linear-Scaling Integral-Direct Explicitly Correlated Second-Order Møller-Plesset Approach. [PDF]

J Chem Theory Comput
Kállay M, Nagy PR, Ladóczki B, Mester D.   +3 more
europepmc   +1 more source

Rega: A Platform for the Prediction of the Regioselectivity of C-H Functionalization Reactions. [PDF]

J Chem Inf Model
Walton PJ, Tatin H, Baxter A, Ermanis K, Denton RM, Hirst JD.   +5 more
europepmc   +1 more source

Cavity Born-Oppenheimer Coupled Cluster Theory: Toward Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime. [PDF]

J Chem Theory Comput
Fischer EW.
europepmc   +1 more source

SAP-X2C: Optimally-Simple Two-Component Relativistic Hamiltonian with Size-Intensive Picture Change. [PDF]

J Chem Theory Comput
Surjuse KA, Valeev EF.
europepmc   +1 more source