Results 91 to 100 of about 1,139,569 (189)

Nuclear Theory [PDF]

Nature, 1958
openaire   +1 more source

Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory. [PDF]

J Comput Chem
Mortera-Carbonell AJ, Hernández-Trujillo J, Francisco E, Pendás AM.   +3 more
europepmc   +1 more source

Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges Model. [PDF]

J Chem Theory Comput
Mazza F, Trinari M, Sepali C, Cappelli C.   +3 more
europepmc   +1 more source

Elementary Nuclear Theory.

Journal of the American Chemical Society, 1956
Hans A. Bethe, Philip Morrison, Kenneth W. Ford   +2 more
  +6 more sources

Effective Hamiltonian-Based DNP Sequence Optimization. [PDF]

J Phys Chem Lett
Niccoli L, Camenisch GM, Chávez M, Ernst M.   +3 more
europepmc   +1 more source

Dynamics of diaphragmatic endometriosis with thoracic endometriosis-related pneumothorax. [PDF]

J Thorac Dis
Ohashi K, Kurihara M, Tsuboshima K.
europepmc   +1 more source

Accounting for Electronic Coherences Induced by Broadband Pulses by Using Pulse-Independent Trajectories. [PDF]

J Chem Theory Comput
Galiana J, Cavaletto SM, Grell G, Fernández-Villoria F, Palacios A, González-Vázquez J, Martín F.   +6 more
europepmc   +1 more source

Resolving sequential electron-proton transfer kinetics for electrochemical CO₂ reduction at the Cu(100)/H₂O interface <i>via</i> a quantum-classical framework. [PDF]

Chem Sci
Yang Y, Fu G.
europepmc   +1 more source

The 15th Anniversary of Materials-Recent Advances in Materials Chemistry. [PDF]

Materials (Basel)
Ariga K.
europepmc   +1 more source

User-Defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces. [PDF]

J Chem Theory Comput
Mattoso S, Yang J, Deißenbeck F, Abdelkawy A, Freysoldt C, Wippermann S, Todorova M, Neugebauer J.   +7 more
europepmc   +1 more source