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Inorganic Chemistry

Working Paper

Structural Trends and Vibrational Analysis of N,N,N′,N′- Tetramethylmalonamide Complexes Across the Lanthanide Series

Dmytro Kravchuk, Xiaoyu Wang, Michael Servis, Richard Wilson

Version 1 posted 09 November 2023

151

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Inorganic Chemistry

Working Paper

Homologous Lanthanide Nickel Silicides Based on Oligomeric Triangular Blocks: Crystal Structures and Physical Properties

Davide Grilli, Volodymyr Smetana, Vitalii Shtender, Sheikh Jamil Ahmed, Marcella Pani, Pietro Manfrinetti, Anja-Verena Mudring

Version 1 posted 13 August 2024

99

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Physical Chemistry

Working Paper

Ritonavir Form III: A New Polymorph After 24 Years

GEOFF ZHANG, Xin Yao, Rodger Henry

Version 1 posted 18 August 2022

802

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2

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Organometallic Chemistry

Working Paper

CO2/13CO2 Dynamic Exchange in the Formate Complex [(2,9-(tBu)2-phen)Cu(O2CH)] and its Catalytic Activity in the Dehydrogenation of Formic Ac-id

Jean-Claude BERTHET, Kieu Phung, Pierre Thuéry, Thibault Cantat

Version 1 posted 04 July 2023

185

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Materials Chemistry

Working Paper

Novel superhard boron nitrides, B2N3 and B3N3: Crystal chemistry and first principles studies

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 07 August 2024

71

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Materials Chemistry

Working Paper

Novel superhard tetragonal hybrid sp3/sp2 carbon allotropes Cx (x = 5, 6, 7): Crystal chemistry and ab initio studies

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 29 April 2024

87

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Materials Chemistry

Working Paper

Novel tetragonal boron pnictides BX (X = N, P, As, Sb, Bi) with square B2X2 motifs from crystal chemistry and first principles

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 29 March 2024

165

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Inorganic Chemistry

Working Paper

The pseudo-ternary phases Eu0.28Yb0.72MnPt and YbCd0.13Mn0.87Pt as TiNiSi type derivatives of the elusive or non-existent “YbMnPt”

Simeon Ponou, Anja-Verena Mudring, Benedikt Friedrich

Version 2 posted 28 May 2024

94

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Theoretical and Computational Chemistry

Working Paper

End-to-End Differentiable Force Field Generator with Crystal Structure Differentiation and Matching

Hiroshi Nakano, Shinnosuke Hattori, Hajime Kobayashi, Takumi Araki, Masakazu Ukita, Toshio Nishi, Yoshihiro Kudo

Version 2 posted 13 June 2023

456

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Nanoscience

Working Paper

Superatomic Au25(SC2H5)18 Nanocluster under Pressure

Qing Tang, Fuhua Li, De-en Jiang

Version 1 posted 21 October 2021

241

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Refine Search

11 results in Crystal Structure in Keywords: Crystal Structure

Structural Trends and Vibrational Analysis of N,N,N′,N′- Tetramethylmalonamide Complexes Across the Lanthanide Series

Homologous Lanthanide Nickel Silicides Based on Oligomeric Triangular Blocks: Crystal Structures and Physical Properties

Ritonavir Form III: A New Polymorph After 24 Years

CO2/13CO2 Dynamic Exchange in the Formate Complex [(2,9-(tBu)2-phen)Cu(O2CH)] and its Catalytic Activity in the Dehydrogenation of Formic Ac-id

Novel superhard boron nitrides, B2N3 and B3N3: Crystal chemistry and first principles studies

Novel superhard tetragonal hybrid sp3/sp2 carbon allotropes Cx (x = 5, 6, 7): Crystal chemistry and ab initio studies

Novel tetragonal boron pnictides BX (X = N, P, As, Sb, Bi) with square B2X2 motifs from crystal chemistry and first principles

The pseudo-ternary phases Eu0.28Yb0.72MnPt and YbCd0.13Mn0.87Pt as TiNiSi type derivatives of the elusive or non-existent “YbMnPt”

End-to-End Differentiable Force Field Generator with Crystal Structure Differentiation and Matching

Superatomic Au25(SC2H5)18 Nanocluster under Pressure

11 results in Keywords: Crystal Structure