"California Institute of Technology, MS 139-74, Pasadena CA 91125, USA. bUniversitat Osnabruck, Fachbereich Physik, D-49069 Osnabruck, Germany.
We present neutron and synchrotron powder-diffraction investigations as well as ab initio calculations to .... Even so, structural questions arise that cannot readily be solved by the ..... Ni-filled system from Co4Sb12 and Ni4Sb12 is endothermic or
analytic calculation of static electric properties,16 and ana- lytic calculation of .... Fr, coinage metal atoms Cu, Ag, Au, the mercury cation, and four mercury ...
eters in bulk alloys, namely, the so-called Connolly-Williams inversion scheme ...... 24 J. Kudrnovský, I. Turek, V. Drchal, P. Weinberger, N. E. Chris- tensen, and ...
Mar 21, 1988 - alternative analytical functional forms for representing the energy surface of these molecules and (ii) the transferability of both functional forms ...
Communicated by Cyrus Levinthal, March 21, 1988. ABSTRACT. We present a technique for addressing the problem of deriving potential energy functions for ...
DFT and ab initio studies of the addition step of alkyne bromoboration ... anion on the opposite side of acetylene, transition structures have been obtained that.
Language-specific syllabus: Spanish ab initio. Programme spécifique: espagnol
ab initio. Programa de estudios específico: español ab initio. 1.
Sep 29, 2017 - Water is of the utmost importance for life and technology. However ..... molecules. The fictitious mass of the electrons was set to 100 au and the ...
drogen inside Jupiter and Saturn, ionically conducting fluid H2OââNH3ââCH4 system ...... sition (PPT), possibly connected with molecular dissocia- tion and/or ...
Ab initio density functional calculations of the response of V, Nb, and Ta to tensile and shear loading have been performed. .... Among the body-centered cubic metals attention was fo- cused on Fe Refs. .... GPa has recently been confirmed by synchro
materials became a trend in dealing with such problem. The reason for using .... hard and soft likes softâ in the hard-soft-acid-base (HSAB) principle [29], and that ...
Arthur Amos Noyes Laboratory of Chemical Physics:, California Institute of Technology,. Pasadena, California 91 125, USA. Received 22 July 1975. Abstract.
Lan Yang and KJ Vahala. Department of Applied Physics, California Institute o[Technology, Pasadena, California, 91125 e-mail address: [email protected].
Electrical Engineering and Applied Physics, Caltech, Pasadena, California 91125. Thomas George. Jet Propulsion Laboratory, Pasadena, California 91109.
predict Q factors as high as 20,000 in opti- mized cavity ... leakage of light out of the high index slab. .... radiation. P.T. Worthing, W.L. Barnes, School of Physics,.
May 21, 2010 - ROBIN L. FINGERHUT1, MARSHALL L. MCCALL1, MAURICIO ARGOTE1, MICHELLE E. CLUVER2, SHOGO NISHIYAMA3,. RAMI T. F. ...
Nov 15, 1989 - appearance of the âplumber's nightmareâ and other phases of ï¬uid membrane theory that have been predicted on energetic grounds by Huse ...
have selected the value δ = 1/10, which was used to find all of the numerical ...... case, in which the maximum value of the solution is of order 0.08, the condition.
Squares are ab-initio results,22 diamonds are obtained with the ... Four slices of a polycrystalline sample with an average grain size of 5 nm. A. Figure 6.
Quantum Mechanics has become increasingly important in the education of chemistry students. The general prin- ciples provided by the ... but what is also needed is to connect the elementary explanation to the technical details in the deeper ...
modern science, and the general claim, often just made implicitly as in any branch of ... of quantum mechanics, for example, is not obliged to follow the tortuous route taken ..... electronic configurations cannot yet be successfully calculated from.
Mar 21, 1988 - [as given by Wilson et al. (46)]. .... Pulay, P., Meyer, W. & Boggs, J. E. (1978) J. Chem. ... Bock, C. W., Trachtman, P. & George, P. (1980) J. Mol.
