Results 151 to 160 of about 79,320 (197)

Oriented Electric Fields─Universal Catalysts. [PDF]

Acc Chem Res
Shaik S, Danovich D, Kalita S, Dubey KD.
europepmc   +1 more source

An Excitation Strategy for the Initial Condition Generation for Surface Hopping Trajectories Using Electron-Only Dynamics Including Explicit Laser Pulses. [PDF]

J Chem Theory Comput
Grünewald L, van Dam L, Mai S.
europepmc   +1 more source

The CP2K Program Package Made Simple. [PDF]

J Phys Chem B
Iannuzzi M, Wilhelm J, Stein F, Bussy A, Elgabarty H, Golze D, Hehn AS, Graml M, Marek S, Gökmen BS, Schran C, Forbert H, Khaliullin RZ, Kozhevnikov A, Taillefumier M, Meli R, Rybkin VV, Brehm M, Schade R, Schütt O, Pototschnig JV, Mirhosseini H, Knüpfer A, Marx D, Krack M, Hutter J, Kühne TD.   +26 more
europepmc   +1 more source

Electric Dipole Moments of Polymers

Journal of the Japan Society of Colour Material, 1982
openaire   +2 more sources

Multifunctional Dipoles Enabling Enhanced Ionic and Electronic Transport for High-Energy Batteries. [PDF]

Nanomicro Lett
Cao S, Sun Y, Li Y, Wang A, Zhang W, Hao Z, Lee JM.   +6 more
europepmc   +1 more source

Interplay between geometry, electron density, and polarizability of the controversial drug atoxyl in crystal and biological environments. [PDF]

RSC Adv
Balmohammadi Y, Metry E, Malaspina LA, Cametti G, Nakamura Y, Grabowsky S.   +5 more
europepmc   +1 more source

Nonlocal Mechano-Optical Metasurfaces. [PDF]

ACS Photonics
van Gorp F, Liu W, Coulais C, van de Groep J.   +3 more
europepmc   +1 more source

Predictive Quantum Vibrational Spectra through Active Learning 4G-NNPs. [PDF]

J Phys Chem Lett
Faruque MO, Limbu DK, London N, Momeni MR.   +3 more
europepmc   +1 more source

Optical trapping with optical magnetic field and photonic Hall effect forces. [PDF]

Nat Commun
Li Y, Valenton E, Nagasamudram S, Parker J, Perez M, Manna U, Biswas M, Rice SA, Scherer NF.   +8 more
europepmc   +1 more source

Exploring the interplay of lattice distortion, magnetic ordering, and dielectric behavior in Dy₂NiFeO_6-δ synthesized via solution chemistry. [PDF]

Sci Rep
Punj S, Dhruv DB, Singh J, Somvanshi A, Kumar A, Abass KS.   +5 more
europepmc   +1 more source