Showing results (1191-1200 of 53,008) with videos related to

Sort By:
Pageof 5,301
The Journal of Chemical Physics|November 17, 2018
Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculationsAndrea Muolo, Edit Mátyus, Markus Reiher
The Journal of Chemical Physics|November 17, 2018
Quantifying conformations of ester vibrational probes with hydrogen-bond-induced Fermi resonancesAnup Ghosh, Bar Cohn, Amit K Prasad, et al.
The Journal of Chemical Physics|November 17, 2018
Nuclear spin blockade of laser ignition of intramolecular rotation in the model boron rotorThomas Grohmann, Dietrich Haase, Dongming Jia, et al.
The Journal of Chemical Physics|November 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular scienceAnna Krylov, Theresa L Windus, Taylor Barnes, et al.
The Journal of Chemical Physics|November 17, 2018
Discrete flux and velocity fields of probability and their global maps in reaction systemsAnna Terebus, Chun Liu, Jie Liang
The Journal of Chemical Physics|November 17, 2018
Adlayer structure and lattice size effects on catalytic rates predicted from KMC simulations: NO oxidation on Pt(111)Konstantinos G Papanikolaou, Matthew T Darby, Michail Stamatakis
The Journal of Chemical Physics|November 17, 2018
Quantum system partitioning at the single-particle levelAdrian H Mühlbach, Markus Reiher
The Journal of Chemical Physics|February 24, 2019
Flexible high-resolution broadband sum-frequency generation vibrational spectroscopy for intrinsic spectral line widthsRuidan Zhang, Xingxing Peng, Zhirun Jiao, et al.
The Journal of Chemical Physics|February 24, 2019
Non-orthogonal multi-Slater determinant expansions in auxiliary field quantum Monte CarloEdgar Josué Landinez Borda, John Gomez, Miguel A Morales
The Journal of Chemical Physics|February 24, 2019
Two-phase equation of state for lithium fluoridePhilip C Myint, Eric L Shi, Sebastien Hamel, et al.
Pageof 5,301