Results 51 to 60 of about 6,281,447 (337)

CRYSTAL23: A Program for Computational Solid State Physics and Chemistry

Journal of Chemical Theory and Computation, 2022
The Crystal program for quantum-mechanical simulations of materials has been bridging the realm of molecular quantum chemistry to the realm of solid state physics for many years, since its first public version released back in 1988.
A. Erba, J. Desmarais, S. Casassa, B. Civalleri, L. Donà, I. Bush, B. Searle, L. Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, E. Ascrizzi, N. L. Marana, J. Flament, B. Kirtman   +14 more
semanticscholar   +1 more source

Growth and combined experimental and quantum chemical study of glycyl-L-Valine crystal

Heliyon, 2019
Glycyl-L-Valine (GLV) crystals were grown using distilled water as the solvent at room temperature by solution growth technique. Powder X-ray diffraction confirms the crystalline quality of GLV crystal.
C. Usha, R. Santhakumari, Lynnette Joseph, D. Sajan, R. Meenakshi, A. Sinthiya   +5 more
doaj   +1 more source

Models of wave-function collapse, underlying theories, and experimental tests

, 2012
We describe the state of the art in preparing, manipulating and detecting coherent molecular matter. We focus on experimental methods for handling the quantum motion of compound systems from diatomic molecules to clusters or biomolecules.Molecular ...
Adler, S. L., Albert, D., Allen, L., Angelo Bassi, Arndt, M., Ashkin, A., Bell, J. S., Bell, J. S., Bell, J. S., Bohm, D., Breuer, H.-P., Bub, J., Christian, J., Deutsch, D., DeWitt, D. S., Dürr, D., Dürr, D., Feynman, R. P., Frenkel, A., Frenkel, A., Frenkel, A., Ghirardi, G., Ghirardi, G. C., Gikhman, I. I., Gisin, N., Goldin, G. A., Griffiths, R. B., Grishchuk, L. P., Hendrik Ulbricht, Holland, P. R., Joos, E., Karolyhazy, F., Karolyhazy, F., Karolyhazy, F., Karolyhazy, F., Karolyhazy, F., Kinjalk Lochan, Landau, L. D., Lyth, D. H., Maudlin, T., Myrvold, W. C., Omnès, R., Omnès, R., Pearle, P., Pearle, P., Pearle, P., Percival, I. C., Rauch, H., Schilpp, P. A., Schlosshauer, M., Seema Satin, Singh, T. P., Tejinder P. Singh, von Neumann, J., Wheeler, J. A.   +54 more
core   +2 more sources

Kinetic exchange models: From molecular physics to social science [PDF]

, 2013
We discuss several multi-agent models that have their origin in the kinetic exchange theory of statistical mechanics and have been recently applied to a variety of problems in the social sciences.
M. Patriarca, A. Chakraborti
semanticscholar   +1 more source

Special Issue on Atomic and Ionic Collisions with Formation of Quasimolecules

Atoms, 2018
Many areas of science today, like atomic and molecular physics, nuclear physics, astrophysics, laboratory plasma research etc., depend on data for ionic, atomic, and molecular collision processes.
Vladimir A. Srećković, Milan S. Dimitrijević, Nikolai N. Bezuglov   +2 more
doaj   +1 more source

Vibronic interactions in trilobite and butterfly Rydberg molecules

Physical Review Research, 2023
Ultralong-range Rydberg molecules provide an exciting testbed for molecular physics at exaggerated scales. In the so-called trilobite and butterfly Rydberg molecules, the Born-Oppenheimer approximation can fail due to strong nonadiabatic couplings ...
Frederic Hummel, Peter Schmelcher, Matthew T. Eiles   +2 more
doaj   +1 more source

Searching for New Physics Through AMO Precision Measurements

, 2012
We briefly review recent experiments in atomic, molecular, and optical physics using precision measurements to search for physics beyond the Standard Model.
Aoyama T, Berengut J C, Berengut J C Flambaum V V, Cameron E Pettitt T, Chad Orzel, DeMille D, Foot C J, Gill P, Guéna J, Kanekar N, Kanekar N, Kazakov G A, King J A Webb J K Murphy M T Flambaum V V Carswell R F Bainbridge M B Wilczynska M R Koch F E, Lea S N, Levshakov S A Combes F Boone F Agafonova I I Reimers D Kozlov M G, Parker T E, Peik E, Rodegheri C C, Vutha A C   +18 more
core   +1 more source

Molecular kinetics of solid and liquid CHCl$_3$ [PDF]

, 2013
We present a detailed analysis of the molecular kinetics of CHCl$_3$ in a range of temperatures covering the solid and liquid phases. Using nuclear quadrupolar resonance we determine the relaxation times for the molecular rotations in solid at pre ...
Caballero, Nirvana B., Carignano, Marcelo A., Serra, Pablo, Zuriaga, Mariano   +3 more
core   +2 more sources

Electrophoresis of a rod macroion under polyelectrolyte salt: Is mobility reversed for DNA?

, 2004
By molecular dynamics simulation, we study the charge inversion phenomenon of a rod macroion in the presence of polyelectrolyte counterions. We simulate electrophoresis of the macroion under an applied electric field. When both counterions and coions are
Eastwood J W, Ewald P P, Frenkel D, Gelbart W R, Kabanov A V, Levin Y, Lozada-Cassou M, Motohiko Tanaka, Quesada-Perez M, Sukhishvili S A, Sukhishvili S A, Tanaka M, Tanaka M, Tanaka M, Viovy J-L   +14 more
core   +1 more source

Toolbox approach for quasi-relativistic calculation of molecular properties for precision tests of fundamental physics. [PDF]

Journal of Chemical Physics, 2019
A generally applicable approach for the calculation of relativistic properties described by one-electron operators within a two-component wave function approach is presented. The formalism is explicitly evaluated for the example of quasirelativistic wave
K. Gaul, R. Berger
semanticscholar   +1 more source