Results 151 to 160 of about 5,819 (230)

Benchmark Measurements for Energetic Salts: A Prerequisite toward Improved Estimation Methods for Lattice Enthalpy. [PDF]

ACS Omega
Habert L, Mathieu D, Quéré S, Daniel M, Pasquinet E.   +4 more
europepmc   +1 more source

Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis. [PDF]

J Am Chem Soc
Acheson K, Turanyi R, Habershon S.
europepmc   +1 more source

Modern Bioimaging Techniques for Elemental Tissue Analysis: Key Parameters, Challenges and Medical Impact. [PDF]

Molecules
Sawicki J, Feldo M, Skalska-Kamińska A, Sowa I.   +3 more
europepmc   +1 more source

Sustainable chlorine cycle enabled by single atom catalysis. [PDF]

Nat Commun
Yang J, Shang J, Lou XWD, Shui J.
europepmc   +1 more source

Imaging scattering resonances in low-energy inelastic ND₃-H₂ collisions. [PDF]

Nat Commun
Kuijpers SEJ, Parker DH, Loreau J, van der Avoird A, van de Meerakker SYT.   +4 more
europepmc   +1 more source

How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations? [PDF]

RSC Adv
Escobosa AC, Manz TA.
europepmc   +1 more source

Impact of Noncompensating Ions on the Electrochemical Performance of n-Type Polymeric Mixed Conductors. [PDF]

J Am Chem Soc
Ohayon D, Hamidi-Sakr A, Surgailis J, Wustoni S, Dereli B, Wehbe N, Nastase S, Chen X, McCulloch I, Cavallo L, Inal S.   +10 more
europepmc   +1 more source

Simulating Molecular Single Vibronic Level Fluorescence Spectra with Ab Initio Hagedorn Wavepacket Dynamics. [PDF]

J Chem Theory Comput
Zhang ZT, Vaníček JJL.
europepmc   +1 more source

Polarizabilities of Atoms in Molecules: Choice of the Partitioning Scheme and Applications for Secondary Interactions. [PDF]

Molecules
Macchi P.
europepmc   +1 more source

An ultrafast algorithm for ultrafast time-resolved coherent Raman spectroscopy. [PDF]

Commun Chem
Mazza F, van den Bekerom D.
europepmc   +1 more source