نتائج البحث

The Halogen Bond in Weakly Bonded Complexes and the Consequences for Aromaticity and Spin-Orbit Coupling

• Authors : Ana V. Cunha; Remco W. A. Havenith; Jari van Gog

Subjects: halogen bonds; density functional theory; energy decomposition analysis

• Source: Molecules, Vol 28, Iss 2, p 772 (2023)

تفاصيل العنوان

N-type organic thermoelectrics: demonstration of ZT > 0.3

• Authors : Jian Liu; Bas van der Zee; Riccardo Alessandri

Subjects: Science

• Source: Nature Communications, Vol 11, Iss 1, Pp 1-9 (2020)

تفاصيل العنوان

The rational design of a Au(I) precursor for focused electron beam induced deposition

• Authors : Ali Marashdeh; Thiadrik Tiesma; Niels J. C. van Velzen

Subjects: crystallography; focused electron beam induced processing; gold chemistry

• Source: Beilstein Journal of Nanotechnology, Vol 8, Iss 1, Pp 2753-2765 (2017)

تفاصيل العنوان

Q‑Force: Quantum Mechanically Augmented Molecular Force Fields

• Authors : Selim Sami (5059928); Maximilian F.S.J Menger (11113212); Shirin Faraji (1282869)

Subjects: Biophysics; Genetics; Biotechnology

تفاصيل العنوان

A Predictive Model for the Pd‐Catalyzed Site‐Selective Oxidation of Diols

• Authors : Nittert Marinus; Niek N. H. M. Eisink; Niels R. M. Reintjens

Subjects: Organic Chemistry; General Chemistry; Catalysis

• Source: Chemistry – A European Journal.

تفاصيل العنوان

Length-dependent symmetry in narrow chevronlike graphene nanoribbons

• Authors : R. S. Koen Houtsma; Mihaela Enache; Remco W. A. Havenith ...

Subjects: ON-SURFACE SYNTHESIS; Chemistry; ELECTRONIC-STRUCTURE

• Source: Nanoscale advances, 4, 3531-3536. ROYAL SOC CHEMISTRYNANOSCALE ADVANCES

تفاصيل العنوان

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

• Authors : Ilias Patmanidis; Paulo C. T. Souza; Selim Sami ...

Subjects: Chemistry; MOLECULAR-DYNAMICS; FORCE-FIELD

• Source: NANOSCALE ADVANCESNanoscale advances, 4(14), 3033-3042. ROYAL SOC CHEMISTRY

تفاصيل العنوان

Spectroscopic Manifestations and Implications for Catalysis of Quasi‐d 10 Configurations in Formal Gold(III) Complexes

• Authors : Evgeniya A. Trifonova; Isaac F. Leach; Winfried B. de Haas ...

Subjects: DERIVATIVES; OXIDATION-STATE; General Chemistry

• Source: Angewandte Chemie (International ed. in English), 62(3):e202215523. WILEY-V C H VERLAG GMBHANGEWANDTE CHEMIE-INTERNATIONAL EDITION

تفاصيل العنوان

Revisiting Formal Copper(III) Complexes: Bridging Perspectives with Quasi ‐ d 10 Configurations

• Authors : Isaac F. Leach; Remco W. A. Havenith; Johannes E. M. N. Klein ...

Subjects: COORDINATION; Computational chemistry; Population analysis

• Source: European Journal of Inorganic Chemistry, 2022(27):e202200247. WILEY-V C H VERLAG GMBHEUROPEAN JOURNAL OF INORGANIC CHEMISTRY

تفاصيل العنوان

N-type organic thermoelectrics: demonstration of ZT > 0.3

• Authors : Mohamad Insan Nugraha; Jingjin Dong; Mario Caironi ...

Subjects: EFFICIENCY; Science; POWER

• Source: Nature Communications, Vol 11, Iss 1, Pp 1-9 (2020)Nature CommunicationsNature Communications, 11(1):5694. Nature Publishing GroupNATURE COMMUNICATIONS

تفاصيل العنوان