المؤلفون: Zhandos Moldabekov, Sebastian Schwalbe, Maximilian P. Böhme, Jan Vorberger, Xuecheng Shao, Michele Pavanello, Frank R. Graziani, Tobias Dornheim

مصطلحات موضوعية: Biophysics, Neuroscience, Marine Biology, Computational Biology, warm dense matter, freely available online, exchange – correlation, edge technological applications, constant degeneracy across, different density regions, thermal xc effects, bound states due, reduced density gradients, density gradients, electronic density, density systems, ubiquitous throughout, rigorously assess, prime example, pressure ionization, present work, new methodologies, new framework, naturally occurs, known concept, key relevance, key finding, extreme temperatures, bulk hydrogen, broad range

Relation: https://figshare.com/articles/journal_contribution/Bound-State_Breaking_and_the_Importance_of_Thermal_Exchange_Correlation_Effects_in_Warm_Dense_Hydrogen/24894595

الاتاحة: https://doi.org/10.1021/acs.jctc.3c00934.s001
https://figshare.com/articles/journal_contribution/Bound-State_Breaking_and_the_Importance_of_Thermal_Exchange_Correlation_Effects_in_Warm_Dense_Hydrogen/24894595

المؤلفون: Blake I. Armstrong (14394913), Meg Willans (14394916), Emma L. Pearson (2638843), Thomas Becker (345029), Mark J. Hackett (1334373), Paolo Raiteri (1498624)

مصطلحات موضوعية: Biophysics, Biochemistry, Science Policy, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, species ’ simplicity, complementary research tool, early undergraduate years, every chemistry curriculum, undergraduate chemistry curriculum, atomistic simulations performed, introducing computational techniques, undergraduate curriculum, atomistic simulations, computational techniques, quantum chemistry, spectroscopic techniques, hybrid computational, testing ground, known concept, ir spectroscopy, gauche <, energy difference, disubstituted ethanes, different approaches, desktop computers, conformational isomerism, anti <

Relation: https://figshare.com/articles/journal_contribution/Revisiting_the_Conformational_Isomerism_of_Dihaloethanes_A_Hybrid_Computational_and_Experimental_Laboratory_for_the_Undergraduate_Curriculum/21878635

الاتاحة: https://doi.org/10.1021/acsphyschemau.2c00055.s001