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3.668 Aktuelle Fachpublikationen zum Thema temperature

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Experiments and analysis in the two-step growth of InGaAs on GaAs substrate

01.07.2015 | Jinping Li; Guoqing Miao; Zhiwei Zhang; Yugang Zeng, CrystEngComm, 2015

The two-step growth technique was introduced to solve the highly lattice-mismatched (5.6%) between In0.78Ga0.22As and GaAs substrate, and the mechanisms of dislocation density reduction by the low-temperature buffer (LT-buffer) were investigated experimentally. In the case of different thickness ...


An approach for the rationalization of melting temperature for deep eutectic solvents from DFT

28.06.2015 | Author(s): Gregorio García , Mert Atilhan , Santiago Aparicio, Chemical Physics Letters, 2015

Publication date: 1 August 2015 Source:Chemical Physics Letters, Volume 634 Author(s): Gregorio García , Mert Atilhan , Santiago Aparicio Deep eutectic solvents are a new generation of solvents formed by the combination of an ionic compound with an hydrogen bond donor, which leads to a ...


Antagonistic Functionalized Nucleation and Oxidative Degradation in Combustive Formation of Pyrene‐Based Clusters Mediated by Triplet O and O2: Theoretical Study

26.06.2015 | Andrea Maranzana, Glauco Tonachini, ChemPhysChem, 2015

Abstract Polycyclic aromatic hydrocarbons (PAHs) and carbonaceous nanoparticles can be oxidized right from their inception and all through their growth. Oxidation can also promote their degradation. This modelistic density functional theory (DFT) study explores, in a descriptive manner, if ...


Overtone and combination features of G and D peaks in resonance Raman spectroscopy of the C78H26 polycyclic aromatic hydrocarbon

26.06.2015 | A. Maghsoumi, L. Brambilla, C. Castiglioni, K. Müllen, M. Tommasini, Journal of Raman Spectroscopy, 2015

We have studied the Raman spectra of C78H26, a polycyclic aromatic hydrocarbon with D2h symmetry point group resembling a longitudinally confined graphene ribbon (or a graphene island) with armchair edge. The experimental spectra recorded with several excitation laser lines have been compared ...


Substituent effect of N‐aryl‐N′‐pyridyl ureas as thermal latent initiators on ring‐opening polymerization of epoxide

26.06.2015 | Naoyuki Makiuchi, Atsushi Sudo, Takeshi Endo, Journal of Polymer Science Part A: Polymer Chemistry, 2015

ABSTRACT A series of N‐aryl‐N′‐pyridyl ureas were synthesized by the reactions of 4‐aminopyridine (4AP) with the corresponding isocyanates such as phenyl isocyanate, 4‐methylphenyl isocyanate, 4‐methoxyphenyl isocyanate, 4‐chlorophenyl isocyanate, 4‐(trifluoromethyl)phenyl isocyanate, and ...


Computational study on the interactions of mustard gas with cucurbituril macrocycles

26.06.2015 | Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Hiroshi Mizuseki, Yoshiyuki Kawazoe, International Journal of Quantum Chemistry, 2015

The study on the absorption of toxic gases such as mustard gas by organic host is essential to the development of inexpensive detection and decontamination equipments. Using quantum chemical methods, we propose cucurbituril as an effective host to capture mustard gas. It was found that stable ...


Preparation of textured porous Al2O3 ceramics by slip casting in a strong magnetic field and its mechanical properties

25.06.2015 | Zhigang Yang, Jianbo Yu, Chuanjun Li, Yunbo Zhong, Weidong Xuan, Zhongming Ren, Qiuliang Wang, Yinming Dai, Hui Wang, Crystal Research and Technology, 2015

The textured porous Al2O3 ceramics were prepared by slip casting in a strong magnetic field of 6 T and subsequently sintering. The c axis of Al2O3 grain was oriented parallel to the direction of the magnetic field and the textured porous microstructure with plate‐shape grains was formed. The ...


Spatial and Orientational Structure of the Hydration Shell of Benzene in Sub- and Supercritical Water

25.06.2015 | Ashu Choudhary; Amalendu Chandra, Journal of Physical Chemistry B, 2015

The spatial and orientational structure of the solvation shell of benzene in sub- and supercritical water are investigated by means of molecular dynamics simulations. The present study reveals different local organization of water molecules at different parts of the solute. The π-hydrogen-bonding ...


An investigation into the photochemistry of, and the electrochemically induced CO-loss from, [(CO)5MC(OMe)Me](M = Cr or W) using low-temperature matrix isolation, picosecond infrared spectroscopy, cyclic voltammetry, and time-dependent density functional theory

24.06.2015 | Suzanne McMahon; Saeed Amirjalayer; Wybren J. Buma; Yvonne Halpin; Conor Long; A. Denise Rooney; Sander Woutersen; M ..., Dalton Transactions, 2015

The photophysics and photochemistry of [(CO)5MC(OMe)Me] (M = Cr or W) were investigated using picosecond time-resolved infrared spectroscopy (M = Cr or W), low-temperature matrix isolation techniques (M = Cr), and time-dependent density functional calculations (M = Cr or W). These studies provide ...


Ab Initio Studies of Anatase TiO2 (101) Surface-supported Au8 Clusters

24.06.2015 | Mikolajczyk, A.; Pinto, H. P.; Gajewicz, A.; Puzyn, T.; Leszczynski, J., Current Topics in Medicinal Chemistry, 2015

Abstract: Supported transition metals on TiO2 surfaces have shown exceptional catalytic properties in many important process such as CO oxidation, selective propane oxidation, hydrogenation, water adsorption and other catalytic and photocatalytic oxidation reaction at low-temperature. Among ...


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