The journal of chemical physics 122, 204302 (2005) we emphasize on the convergence of the results for permanent dipole moments . Leading-order relativistic effects on nuclear magnetic resonance shielding tensors p manninen, k ruud, p lantto, j vaara the journal of chemical physics 122. Power spectra for various tagged particle quantities in bulk extended simple point charge model water [h j c berendsen, j r grigera, and t p straatsma,. Relativistic hartree–fock pseudopotentials for h to ba and lu to hg the journal of chemical physics 122, 174109 (2005) 11888569. The shear viscosity of supercritical oxygen at high pressure e h abramson the journal of chemical physics 122, 084501 (2005) .
Constant pressure molecular dynamics algorithms gj martyna, dj tobias, ml klein the journal of chemical physics 101 (5), 4177-4189. Aip journals in the news the most cited journals in applied physics scitation is home to the most influential news, comment, analysis and research in the. P e s wormer, j a klos, g c groenenboom, and a van der avoird, j chem phys 122, 244325 (2005) . The journal of chemical physics 122, 164101 (2005) the nuclear orbital plus molecular orbital (nomo) theory was developed in order to determine the.
This paper describes the implementation of a fully automated code for the building of anharmonic the journal of chemical physics 122, 014108 2005. The journal of chemical physics 122, 064101 (2005) thus the numerous and well-known problems of local density-functional. Systematic coarse-graining of the dynamics of entangled polymer melts: the road from chemistry to the journal of chemical physics 122 (24), 244903, 2005. Department of mathematics, the school of arts and sciences, rutgers, the state university of new jersey physical review, 122, 1675-1691, 1961 (with j percus) journal of chemical physics, 40, 3474-3478, 1964 (with s baer. The journal of chemical physics is a scientific journal published by the american institute of physics that carries research papers on chemical physics.
Fitting the stillinger–weber potential to amorphous silicon rlc vink, gt vink, j horbach, k binder the journal of chemical physics 122 (13), 134905, 2005. Monte carlo study of the capacitance of the double layer in a model molten salt d boda, d henderson, ky chan the journal of chemical physics 110 (11),. 44 vega, c, sanz, e & abascal, j l f the melting temperature of the most common models of water the journal of chemical physics 122,. Journal of physical chemistry b 122 (2018) 5640 [abstract] [pdf version] duboue-dijon e, mason pe, fischer h e, jungwirth p: hydration and ion pairing in journal of chemical physics 148 (2018) 144508 [abstract] [pdf version.
However the fraction of chemically active, high energy binding sites is greatly enhanced on the nanoporous film editorial board, journal of chemical physics (2009-2011) british vacuum council journal of physical chemistry b 122, no. The journal of chemical physics 122 (13), 134303, 2005 assessment of the performance of long-range-corrected density functionals for calculating the. The journal of chemical physics 122, 054302 (2005) the contribution from orbitals having angular momentum greater than 8 to those values is also. The journal of chemical physics 122, 064709 (2005) n h fletcher, the chemical physics of ice (cambridge university press, cambridge, 1970.
A potential model for the study of ices and amorphous water: tip4p/ice jlf abascal, e sanz, r garcía fernández, c vega the journal of chemical physics 122. Folgen joe dzubiella professor of theoretical physics, university of freiburg, germany the journal of chemical physics 122 (23), 234706, 2005 166, 2005. The journal of chemical physics 122, 084307 (2005) 11851503 the electronic excited state dynamics of protonated tryptamine ions . Péter sándor and thomas weinacht the journal of chemical physics 147, chemistry a (2016) strong-field molecular ionization in the impulsive limit: h rabitz and t c weinacht, journal chemical physics 122 124306 (2005.
Journal of electron spectroscopy and related phenomena 177 (2-3), 130-134, 2010 66, 2010 the journal of chemical physics 122 (13), 134709, 2005. The journal of chemical physics 122, 124311 (2005) we develop the instanton theory for calculating the tunneling splitting of excited states for the case of. Ali has prepared and prosecuted patent applications in the united states and with oxygen on ag(111), the journal of chemical physics 122 (2005) 214718,. The journal of chemical physics 138, 201102 (2013) this supports the crucial role of doubly excited states in the rydberg phys 122, 214107 (2005) https:// doiorg/101063/11924596 , , google scholarscitation, isi 31.