Results 11 to 20 of about 1,008,154 (91)

Machine Learning of Free Energies in Chemical Compound Space Using Ensemble Representations: Reaching Experimental Uncertainty for Solvation [PDF]

, 2021
Free energies govern the behavior of soft and liquid matter, and improving their predictions could have a large impact on the development of drugs, electrolytes or homogeneous catalysts.
Browning, Nicholas J., von Lilienfeld, O. Anatole, Weinreich, Jan   +2 more
core   +2 more sources

Physics-Chemical Analysis on The Surface and Ground Water: A Case Study in Aceh Province

Journal of Advanced Research in Fluid Mechanics and Thermal Sciences, 2020
Environment is a habitat for all living things in the universe. Therefore, it must be preserved, especially on the surface and ground water. Environmental pollution in almost all over the world recently has been in a very alarming level.
Mariana, M. Zaki, Mahidin, A. Gani, Muhammad Rusdi, Z. Idami, M. Karmel, E. Miswar, Erdiwansyah, M. Nasir, Ichwana, Nasrullah, A. Afwanudin, Safarul Aufa   +13 more
semanticscholar   +1 more source

RGB-LED-PHOTOMETER AND THE DIGITAL IMAGE-BASED METHOD USING A SMARTPHONE FOR CHEMISTRY AND PHYSICS TEACHING

Química Nova, 2023
This work describes the analysis of molecular spectroscopy in the UV/Vis region, as well as the study of transmittance, absorption, and reflectance phenomena in an undergraduate class using an LED (light emitting diodes)-photometer and digital image ...
V. D. dos Santos, Wevylla de Oliveira, J. P. de Almeida, M. Foguel, W. Suarez, Josiane de Oliveira   +5 more
semanticscholar   +1 more source

Cold N+NH Collisions in a Magnetic Trap [PDF]

, 2010
We present an experimental and theoretical study of atom-molecule collisions in a mixture of cold, trapped atomic nitrogen and NH molecules at a temperature of $\sim 600$~mK.
Campbell, Wesley C., Dalgarno, Alexander, Doyle, John M., Hummon, Matthew T., Kłos, Jacek, Lu, Hsin-I, Tscherbul, Timur V., Tsikata, Edem   +7 more
core   +3 more sources

Correction for Shtykova et al., “Solution Structure, Self-Assembly, and Membrane Interactions of the Matrix Protein from Newcastle Disease Virus at Neutral and Acidic pH”

Journal of Virology, 2021
aA. V. Shubnikov Institute of Crystallography of Federal Scientific Research Centre Crystallography and Photonics, Russian Academy of Sciences, Moscow, Russia bN. N. Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, Russia cA. N.
E. Shtykova, M. Petoukhov, L. Dadinova, N. V. Fedorova, V. Y. Tashkin, T. A. Timofeeva, A. L. Ksenofontov, N. A. Loshkarev, L. A. Baratova, C. Jeffries, D. Svergun, O. Batishchev   +11 more
semanticscholar   +1 more source

Electron gun for diffraction experiments off controlled molecules [PDF]

, 2015
A dc electron gun, generating picosecond pulses with up to $8\times10^{6}$ electrons per pulse, was developed. Its applicability for future time-resolved-diffraction experiments on state- and conformer-selected laser-aligned or oriented gaseous samples ...
Długołecki, Karol, Küpper, Jochen, Müller, Nele L. M., Trippel, Sebastian   +3 more
core   +2 more sources

Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method. [PDF]

, 2019
Recent advances in selected configuration interaction methods have made them competitive with the most accurate techniques available and, hence, creating an increasingly powerful tool for solving quantum Hamiltonians.
Freeman, C Daniel, Hait, Diptarka, Head-Gordon, Martin, Levine, Daniel S, Tubman, Norm M, Whaley, K Birgitta   +5 more
core   +2 more sources

Quantum Structures of the Hydrogen Atom [PDF]

, 2014
Modern quantum theory introduces quantum structures (decompositions into subsystems) as a new discourse that is not fully comparable with the classical-physics counterpart.
Arsenijevic, M., Dugic, M., Francom, A., Jeknic-Dugic, J.   +3 more
core   +2 more sources

Semiclassical instanton formulation of Marcus-Levich-Jortner theory

, 2020
Marcus-Levich-Jortner (MLJ) theory is one of the most commonly used methods for including nuclear quantum effects into the calculation of electron-transfer rates and for interpreting experimental data.
Heller, Eric R., Richardson, Jeremy O.
core   +1 more source

Scaling perspective on Intramolecular vibrational energy flow: analogies, insights, and challenges [PDF]

Advances in Chemical Physics, Eds. S. A. Rice and A. R. Dinner, vol. 153, 43-110 (2013), 2013
Review of the scaling approach to intramolecular vibrational energy flow emphasizing the classical-quantum correspondence perspective.
arxiv   +1 more source