There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

https://www.chem.ccu.edu.tw/~joyce/referance/gump/IL/Chem.%20Rev.%201999,%2099,%202071.pdf

Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis

Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency. DSC research groups have been established around the worl ...

/pdf/dye-sensitized-solar-cells-50b0w2bhsr.pdf

Dye-Sensitized Solar Cells

https://lirias.kuleuven.be/bitstream/123456789/158780/1/74MCD_encyclopedia.pdf

Magnetic Circular Dichroism in Transparent Rare-Earth Compounds

https://lirias.kuleuven.be/bitstream/123456789/584342/2/Jonas+Winters+poster+ISGC.pdf

Ionic liquids as solvents for polyaramids

C36H5iEuN60i5, triclinic, PI (No. 2), a = 11.426(3) Â, b= 13.842(3) Â, c = 14.080(3) Á, a = 98.58(1)°, β = 98.46(1)°, γ = 92.52(2)°, V= 2173.1 Á, Z = 2, Rgt(F) = 0.047, wRref(F) = 0Λ 13, 7 = 289 K. Source of material The synthesis of the complex is described in [1]. The compound was dissolved in a mixture of dioxane, diethyl ether and THF (1:1:1). After a few days single crystals suitable for X-ray analysis were obtained by isothermal evaporation of the solvent. Experimental details Hydrogen atoms were refined in the riding mode with a fixed isotropic temperature factor 1.2 or 1.5 times Ueq of the parent atom. Discussion Complexes of the type [Ln(LH)3(NC>3)3], where Ln is a trivalent rare-earth ion and LH is the Schiffs base 4-alkoxy-7V-alkyl-2hydroxybenzaldimine exhibit liquid-crystalline behaviour [1-3]. The crystal structure of the complexes [Nd(LH)3(NC>3)3] and [Dy(LH)3(N03)3] is described in [1], where LH is the Schiffs base 4-methoxy-/V-butyl-2-hydroxybenzaldimine. In this paper we describe the crystal structure of the analogous europium(III) compound. [EU(LH)3(N03)3] is isostructural with [Nd(LH)3(NC>3)3] and [Dy(LH)3(N03)3]. The Eu atom is nine-fold coordinated (distorted monocapped square antiprism), surrounded by three bidentate nitrate groups and three Schiff s base ligands. The Schiffs base ligands coordinate to the europium ion as monodentate ligands via the phenolic oxygen. The nitrogen atoms of the imine groups are not bounded to the europium ion. The Schiffs bases are present in a zwitterionic form: the phenol group is deprotonated and the hydrogen atom has been transferred to the nitrogen atom of the imine group, so that a positive charge is present on the nitrogen atom. An intramolecular hydrogen bond is formed between the protonated nitrogen atom and the deprotonated oxygen atom of the phenol group. Table 1. Data collection and handling. Crystal: yellow block, size 0.20 χ 0.25 χ 0.40 mm Wavelength: Mo Ka radiation (0.71073 Â) μ: 15.14 cm\"' Diffractometer, scan mode: Siemens P4-PC, ω 2$max: 50° N(hkl)mcasured, N(hkl)m\\quc: 8884,7641 Criterion for /0bs, N(hkl)gl: /obs > 2 <7(/obs), 5965 N(param) refined: 565 Programs: SHELXS-97 [4], SHELXL-97 [5], PLATON [6] Table 2. Atomic coordinates and displacement parameters (in A\"). Atom Site X y ζ í/iso H(2) 2 i 0.7595(5) 0.206(2) 0.5395(4) 0.062 H(4) li 0.880(2) -0.051(1) 0.429(1) 0.089 H(5) 2 i 0.7450(6) -0.136(2) 0.4952(5) 0.078 H(9A) li 0.855(2) 0.256(1) 0.424(4) 0.140 H(9B) li 0.986(4) 0.2504(8) 0.410(4) 0.140 H(9C) li 0.953(5) 0.260(1) 0.512(2) 0.140 H(10) li 0.5906(6) -0.148(5) 0.587(1) 0.065 H ( l l ) li 0.503(6) 0.015(3) 0.662(5) 0.070 H(12A) li 0.4425(6) -0.171(2) 0.6821(8) 0.081 H(12B) li 0.357(2) -0.0783(7) 0.6973(6) 0.081 H(13A) li 0.4927(6) -0.009(2) 0.8417(8) 0.077 H(13B) li 0.427(2) -0.1137(9) 0.851(1) 0.077 H(14A) li 0.668(2) -0.087(1) 0.814(1) 0.098 H(14B) li 0.6014(7) -0.194(2) 0.8198(9) 0.098 H(15A) li 0.650(6) -0.033(2) 0.982(1) 0.168 H(15B) li 0.727(4) -0.131(5) 0.9693(8) 0.168 H(15C) li 0.587(4) -0.142(4) 0.987(1) 0.168 Correspondence author (e-mail: Luc.VanMeervelt@chem.kuleuven.ac.be) EU (LH)3(N0 3 )3 1 1 9 Table 2. Continued. Table 2. Continued.

Crystal structure of tris(.V-(n-butyl)-4-methoxy-2-hydroxyhen/.aldimine)- tris(nitrato)europium(III), Eu(LH)3(NO3)3

The title compound, [Au-III(C9H10NO2)(2)][(AuCl4)-Cl-III], contains [Au-III(C9H10NO2)(2)](+) cations and [(AuCl4)-Cl-III](-) anions with each of the gold(III) ions in a typical four-coordinate square-planar geometry. Both gold(III) metal centers are located on inversion centers.

Bis{2-[(2-hydroxyethyl)iminomethyl]phenolato}gold(III) tetrachloroaurate(III)

1 Dept. of Metallurgy and Materials Engineering, KU Leuven, Leuven 3001, Belgium 2 Centre for Surface Chemistry and Catalysis, KU Leuven, Leuven 3001, Belgium 3 Dept. of Chemistry, KU Leuven, Leuven 3001, Belgium 4 Dept. of Energy Conversion and Storage, Technical University of Denmark, Kgs. Lyngby 2800, Denmark 5 Dept. of Physics, University of Oldenburg, Oldenburg 26129, Germany 6 Dept. of Physics and Astronomy, KU Leuven, Leuven 3001, Belgium 7 Dept. of Polymer Science and Engineering, Soochow University, Suzhou 215123, China 8 School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, China

Physicochemical properties of 1,2,4-triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte

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