Works matching Bond angles

Results: 2434

Etching Rate Analysis Model Based on Quartz Bond Angle Characteristics.

Published in:

Micromachines, 2024, v. 15, n. 6, p. 768, doi. 10.3390/mi15060768

By:

Zhao, Xinjia;
Lv, Chengbao;
Song, Shuanqiang;
Zhao, Meng;
Ji, Jing

Publication type:

Article

A Comparison Study of the Effects of Ba and La Doping in SrIrO: Ir-O-Ir Bond Angle and Carrier Concentration.

Published in:

Journal of Superconductivity & Novel Magnetism, 2017, v. 30, n. 12, p. 3493, doi. 10.1007/s10948-017-4152-z

By:

Han, Tao;
Liang, Dandan;
Wang, Yongjian;
Yang, Jun;
Han, Hui;
Wang, Jingrong;
Gong, Jixiang;
Luo, Lei;
Zhu, W.;
Zhang, Changjin;
Zhang, Yuheng

Publication type:

Article

THE INFLUENCE OF THICKNESS, DIAMETER, CHIRAL AND BOND ANGLE ON THE VALUE OF YOUNG'S MODULUS FOR CHIRAL SINGLE-WALLED CARBON NANOTUBES.

Published in:

Digest Journal of Nanomaterials & Biostructures (DJNB), 2013, v. 8, n. 4, p. 1365

By:

SHIH-CHUNG FANG;
YAO-YANG TSAI;
WIN-JIN CHANG

Publication type:

Article

Uncertainties of recalculated bond lengths, angles and polyhedral volumes as implemented in the Crystal Palace program for parametric crystal structure analysis.

Published in:

Acta Crystallographica. Section A, Foundations & Advances, 2025, v. 81, n. 3, p. 202, doi. 10.1107/S2053273325002682

By:

Angel, Ross J.;
Mazzucchelli, Mattia L.;
Baratelli, Lisa;
Schweinle, Catherine F.;
Balić-Žunić, Tonci;
Gonzalez-Platas, Javier;
Alvaro, Matteo

Publication type:

Article

Re-examining Correlations Between Synonymous Codon Usage and Protein Bond Angles in Escherichia coli.

Published in:

Genome Biology & Evolution, 2024, v. 16, n. 5, p. 1, doi. 10.1093/gbe/evae080

By:

Akeju, Opetunde J;
Cope, Alexander L

Publication type:

Article

The Influence of Bond Angle on Thermophysical Properties of Three-Center Lennard-Jones Fluids: Computer Simulation and Theory.

Published in:

Zeitschrift für Physikalische Chemie, 2019, v. 233, n. 4, p. 551, doi. 10.1515/zpch-2018-1199

By:

Laghaei, Rozita;
Nasrabad, Afshin Eskandari

Publication type:

Article

PARAMETRIZATION OF THE TORSION POTENTIAL IN ALL-ATOM MODELS OF HYDROCARBON MOLECULES USING A SIMPLIFIED EXPRESSION FOR THE DEFORMATION ENERGY OF VALENCE BONDS AND ANGLES.

Published in:

Journal of Structural Chemistry, 2021, v. 62, n. 11, p. 1653, doi. 10.1134/S0022476621110019

By:

Teplukhin, A. V.

Publication type:

Article

Minimizing Bond Angle Distortion to Improve Thermal Stability of Cr3+ Doped Near‐Infrared Phosphor.

Published in:

Laser & Photonics Reviews, 2023, v. 17, n. 9, p. 1, doi. 10.1002/lpor.202300092

By:

Zhang, Liangliang;
Wang, Dandan;
Liu, Feng;
Wu, Hao;
Pan, Guohui;
Wu, Huajun;
Hao, Zhendong;
Zhang, Hong;
Zhang, Jiahua

Publication type:

Article

Tailoring of magnetism & electron transport of manganate thin films by controlling the Mn–O–Mn bond angles via strain engineering.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-53722-9

By:

Henning, P.;
Gruhl, R.;
Ross, U.;
Roddatis, V.;
Bruchmann-Bamberg, V.;
Stroh, K. P.;
Seibt, M.;
Gegenwart, P.;
Moshnyaga, V.

Publication type:

Article

Computer modeling of apparently straight bond angles: The intriguing case of all-silica ferrierite.

Published in:

American Mineralogist, 2019, v. 104, n. 11, p. 1546, doi. 10.2138/am-2019-6951

By:

Trudu, Federica;
Tabacchi, Gloria;
Fois, Ettore

Publication type:

Article

Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]2 skeleton: a database analysis of C-N-C and P-N-C bond angles.

Published in:

Acta Crystallographica Section C: Structural Chemistry, 2014, v. 70, n. 10, p. 998, doi. 10.1107/S2053229614020488

By:

Pourayoubi, Mehrdad;
Tarahhomi, Atekeh;
Rheingold, Arnold L.;
Golen, James A.

Publication type:

Article

Ⅳ类石英玻璃光学均匀性影响因素研究.

Published in:

Bulletin of the Chinese Ceramic Society, 2023, v. 42, n. 7, p. 2621

By:

袁晶;
宋学富;
孙元成;
杜秀蓉;
张晓强;
钟利强

Publication type:

Article

About compounds containing 16-valence electron anions [XYZ]n− – a brief and current overview including some properties of such anions.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2024, v. 79, n. 7, p. 371, doi. 10.1515/znb-2024-0017

By:

Reckeweg, Olaf

Publication type:

Article

ＣａＦ２对ＣａＯ－Ａｌ２Ｏ３－ＣａＦ２熔体结构影响的分子动力学研究

Published in:

Journal of Northeastern University (Natural Science), 2020, v. 41, n. 4, p. 510, doi. 10.12068/j.issn.1005-3026.2020.04.010

By:

张晓博;
刘承军;
姜茂发

Publication type:

Article

The Effect of Structural Phase Transitions on Electronic and Optical Properties of CsPbI 3 Pure Inorganic Perovskites.

Published in:

Coatings (2079-6412), 2021, v. 11, n. 10, p. 1173, doi. 10.3390/coatings11101173

By:

Syah, Rahmad;
Davarpanah, Afshin;
Nasution, Mahyuddin K. M.;
Wali, Qamar;
Ramdan, Dadan;
Albaqami, Munirah D.;
Ouladsmane, Mohamed;
Noori, Saja Mohammed

Publication type:

Article

THE CORRELATION BETWEEN BOND ANGLE DISTRIBUTION AND THE COORDINATION OF SILICA LIQUID UNDER PRESSURE.

Published in:: International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2012, v. 26, n. 20, p. -1, doi. 10.1142/S0217979212501172
Publication type:: Article

σ–σ* conjugation Across Si─O─Si Bonds.

Published in:

Macromolecular Rapid Communications, 2025, v. 46, n. 10, p. 1, doi. 10.1002/marc.202500081

By:

Zhang, Zijing;
Pilon, Cecilia;
Kaehr, Hana;
Pimbaotham, Pimjai;
Jungsuttiwong, Siriporn;
Laine, Richard M.

Publication type:

Article

Effects of Dispersion and Charge‐Transfer Interactions on Structures of Heavy Chalcogenide Compounds: A Quantum Chemical Case Study for (Et2Bi)2Te.

Published in:

ChemPlusChem, 2022, v. 87, n. 4, p. 1, doi. 10.1002/cplu.202100487

By:

van der Vight, Felix;
Schulz, Stephan;
Jansen, Georg

Publication type:

Article

Molecular Dynamics Analysis of the Structural Behavior of Aluminum Ion in the Slag of CaO–SiO2–Al2O3–Li2O System.

Published in:

Steel Research International, 2024, v. 95, n. 1, p. 1, doi. 10.1002/srin.202300310

By:

Jiao, Shiyan;
Guo, Peiyao;
Chen, Feichi;
Min, Yi;
Liu, Chengjun

Publication type:

Article

Why are Hydrogen Bonds Directional?

Published in:

Journal of Chemical Sciences, 2016, v. 128, n. 10, p. 1571, doi. 10.1007/s12039-016-1156-3

By:

SHAHI, ABHISHEK;
ARUNAN, ELANGANNAN

Publication type:

Article

Phosphorus-nitrogen compounds- (Part 50): correlations between structural parameters for cylophosphazene derivatives containing ferrocenyl pendant arm(s).

Published in:

Turkish Journal of Chemistry, 2020, v. 44, n. 3, p. 543, doi. 10.3906/kim-1909-83

By:

ASMAFİLİZ, Nuran;
ELMAS, Gamze;
OKUMUŞ, Aytuğ;
BİLGE KOÇAK, Selen;
KILIÇ, Zeynel

Publication type:

Article

A new phosphorothioic triamide structure: P(S)[NHCH2C6H5]3.

Published in:

Acta Crystallographica Section C: Structural Chemistry, 2015, v. 71, n. 4, p. 338, doi. 10.1107/S2053229615004453

By:

Raissi Shabari, Akbar;
Pourayoubi, Mehrdad;
Marandi, Pari;
Dušek, Michal;
Eigner, Václav

Publication type:

Article

Improved Predictive Tools for Structural Properties of Metal–Organic Frameworks.

Published in:

Molecules, 2020, v. 25, n. 7, p. 1552, doi. 10.3390/molecules25071552

By:

Choudhuri, Indrani;
Truhlar, Donald G.;
Gauld, James W.

Publication type:

Article

Influence of Different Rotations of Organic Formamidinium Molecule on Electronic and Optical Properties of FAPbBr 3 Perovskite.

Published in:

Coatings (2079-6412), 2021, v. 11, n. 11, p. 1341, doi. 10.3390/coatings11111341

By:

Al-Kahtani, Abdullah A.;
Tabassum, Sobia;
Raya, Indah;
Khlewee, Ibrahim Hammoud;
Chupradit, Supat;
Davarpanah, Afshin;
Elveny, Marischa;
Ali, Shafaqat

Publication type:

Article

ADMET, Pharmacokinetic and Docking properties of the fungal drug 2-(2, 4-difluorophenyl)-1, 3-bis (1, 2, 4-triazol-1-yl) propan-2-ol by using Quantum computational methods.

Published in:

Indian Journal of Biochemistry & Biophysics, 2023, v. 60, n. 1, p. 58, doi. 10.56042/ijbb.v60i1.65638

By:

Trilaksana, Herri;
D., Thanmayalaxmi;
Suvitha, A.

Publication type:

Article

Effect of basicity on the structure and viscosity properties of HIsmelt slag: A molecular dynamics simulation.

Published in:

Canadian Metallurgical Quarterly, 2025, v. 64, n. 3, p. 799, doi. 10.1080/00084433.2024.2367925

By:

Zhang, Shushi;
Zhang, Jianliang;
Wang, Zhenyang;
Jiang, Dewen;
Liang, Zeng;
Zhang, Song

Publication type:

Article

GEMF: a novel geometry-enhanced mid-fusion network for PLA prediction.

Published in:

Briefings in Bioinformatics, 2024, v. 25, n. 4, p. 1, doi. 10.1093/bib/bbae333

By:

Zhou, Guoqiang;
Qin, Yuke;
Hong, Qiansen;
Li, Haoran;
Chen, Huaming;
Shen, Jun

Publication type:

Article

A FILTRATION OF THE CONFIGURATION SPACE OF SPATIAL POLYGONS.

Published in:

Advances & Applications in Discrete Mathematics, 2019, v. 22, n. 1, p. 67, doi. 10.17654/DM022010067

By:

Yasuhiko Kamiyama

Publication type:

Article

Extracting Local Symmetry of Mono-Atomic Systems from Extended X-ray Absorption Fine Structure Using Deep Neural Networks.

Published in:

Symmetry (20738994), 2021, v. 13, n. 6, p. 1070, doi. 10.3390/sym13061070

By:

Iesari, Fabio;
Setoyama, Hiroyuki;
Okajima, Toshihiro

Publication type:

Article

Bond Angle Study of Self-compensating Y1− xCa xBa2− xLa xCu3O z System.

Published in:

Journal of Superconductivity & Novel Magnetism, 2010, v. 23, n. 5, p. 847, doi. 10.1007/s10948-010-0715-y

By:

Jin, W. T.;
Hao, S. J.;
Zhang, X. J.;
Zhao, Y.;
Zhang, H.

Publication type:

Article

CO2‐Induced Strong Room‐Temperature Ferromagnetism in BiFeO3.

Published in:

Advanced Electronic Materials, 2024, v. 10, n. 2, p. 1, doi. 10.1002/aelm.202300626

By:

Ren, Zixin;
Gao, Bo;
Xu, Song;
Xu, Qun

Publication type:

Article

Uniaxially Strained Graphene: Structural Characteristics and G-Mode Splitting.

Published in:

Materials (1996-1944), 2022, v. 15, n. 1, p. 67, doi. 10.3390/ma15010067

By:

Kalosakas, George;
Lathiotakis, Nektarios N.;
Papagelis, Konstantinos

Publication type:

Article

Long-term CO2 capture-induced calcite crystallographic changes in Deccan basalt, India.

Published in:

Environmental Earth Sciences, 2019, v. 78, n. 13, p. N.PAG, doi. 10.1007/s12665-019-8378-x

By:

Kumar, Amit;
Shrivastava, J. P.

Publication type:

Article

Recent Advances in the Reactions of Cyclic Carbynes.

Published in:

Molecules, 2020, v. 25, n. 21, p. 5050, doi. 10.3390/molecules25215050

By:

Su, Qian;
Ding, Jipeng;
Du, Zhihui;
Lai, Yunrong;
Li, Hongzuo;
Ouyang, Ming-An;
Song, Liyan;
Lin, Ran;
Hey-Hawkins, Evamarie;
Gómez-Ruiz, Santiago;
Kaluđerović, Goran

Publication type:

Article

SYNTHESIS, CHARACTERIZATION, AND COMPUTATIONAL STUDIES OF N-[(9E)-8,10,17-TRIAZATETRACYCLO[8.7.0.02,7.011,16]HEPTADECA- 1(17),2,4,6,11(16),12,14-HEPTAEN-9-YLIDENE]BENZAMIDE.

Published in:

Journal of Structural Chemistry, 2020, v. 61, n. 8, p. 1177, doi. 10.1134/S0022476620080016

By:

Odame, F.;
Hosten, E. C.;
Tshentu, Z. R.

Publication type:

Article

Density Functional Theory Calculation and Raman Scattering of the Antihistamine Ebastine.

Published in:

Journal of Applied Spectroscopy, 2020, v. 87, n. 4, p. 608, doi. 10.1007/s10812-020-01043-w

By:

Peng, H.;
Wu, D.-X.;
Hou, H.-Y.;
Chen, X.-B.

Publication type:

Article

Crystal chemistry and structural phase transition in CaLa2Zn1–xCaxTi2O9 (x = 0.00, 0.15, 0.30, 0.45, 0.90 and 1.00).

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2025, v. 80, n. 6/7, p. 223, doi. 10.1515/znb-2025-0015

By:

El Hachmi, Abdelhadi;
Loubbidi, Leila;
El Ghmari, Brahim;
Arfoy, Brahim;
Chtoun, El Hossain;
Manoun, Bouchaib

Publication type:

Article

A study of the structural and spectral characteristics of free and bound water in kaolinite.

Published in:

Optics & Spectroscopy, 2016, v. 121, n. 3, p. 357, doi. 10.1134/S0030400X16090113

By:

Kasprzhitskii, A.;
Lazorenko, G.;
Sulavko, S.;
Yavna, V.;
Kochur, A.

Publication type:

Article

Eccentricity effect on horizontal capillary emptying.

Published in:

Journal of Fluid Mechanics, 2022, v. 945, p. 1, doi. 10.1017/jfm.2022.567

By:

Tan, Dongwen;
Zhou, Xinping;
Zhang, Gang;
Zhu, Chengwei;
Fu, Chenyu

Publication type:

Article

CO 2 Dipole Moment: A Simple Model and Its Implications for CO 2 -Rock Interactions.

Published in:

Minerals (2075-163X), 2023, v. 13, n. 1, p. 87, doi. 10.3390/min13010087

By:

Calcara, Massimo;
Caricaterra, Matteo

Publication type:

Article

Effect of doped H, Br, Cu, Kr, Ge, As and Fe on structural features and bandgap of poly C13H8OS-X: a DFT calculation.

Published in:

Designed Monomers & Polymers, 2021, v. 24, n. 1, p. 53, doi. 10.1080/15685551.2021.1877431

By:

Vu Quoc, Trung;
Duong, La Trieu;
Quoc, Van Duong;
Tran Quoc, Tuan;
Nguyen Trong, Dung;
Talu, Stefan

Publication type:

Article

Synthesis, characterization, computational studies and DPPH scavenging activity of some triazatetracyclic derivatives.

Published in:

Journal of the Iranian Chemical Society, 2021, v. 18, n. 8, p. 1979, doi. 10.1007/s13738-021-02158-3

By:

Odame, F.;
Hosten, Eric C.;
Betz, R.;
Krause, J.;
Frost, Carminita L.;
Lobb, K.;
Tshentu, Zenixole R.

Publication type:

Article

Exploration of Regulation of Alcohol Dehydrogenation Reaction of Dibenzimidazole-Based Ruthenium Complexes.

Published in:

Molecules, 2025, v. 30, n. 4, p. 842, doi. 10.3390/molecules30040842

By:

Li, Shuai;
Jiang, Min;
Dekyvere, Sander;
Wang, Peng;
Chen, Cheng;
Verpoort, Francis

Publication type:

Article

Correlation between superconductivity and bond angle of CrAs chain in non-centrosymmetric compounds A2Cr3As3 (A = K, Rb).

Published in:

Scientific Reports, 2016, p. 37878, doi. 10.1038/srep37878

By:

Wang, Zhe;
Yi, Wei;
Wu, Qi;
Sidorov, Vladimir A.;
Bao, Jinke;
Tang, Zhangtu;
Guo, Jing;
Zhou, Yazhou;
Zhang, Shan;
Li, Hang;
Shi, Youguo;
Wu, Xianxin;
Zhang, Ling;
Yang, Ke;
Li, Aiguo;
Cao, Guanghan;
Hu, Jiangping;
Sun, Liling;
Zhao, Zhongxian

Publication type:

Article

Predicting scale-dependent chromatin polymer properties from systematic coarse-graining.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-39907-2

By:

Kadam, Sangram;
Kumari, Kiran;
Manivannan, Vinoth;
Dutta, Shuvadip;
Mitra, Mithun K.;
Padinhateeri, Ranjith

Publication type:

Article

Organomonophosphines in PtP2S2 derivatives: structural aspects.

Published in:

Reviews in Inorganic Chemistry, 2016, v. 36, n. 1, p. 43, doi. 10.1515/revic-2015-0006

By:

Melník, Milan;
Mikuš, Peter

Publication type:

Article

A combined solid-state 17O NMR, crystallographic, and computational study of oxiranes.

Published in:

Canadian Journal of Chemistry, 2020, v. 98, n. 8, p. 434, doi. 10.1139/cjc-2020-0114

By:

Rinald, Andrew;
Terskikh, Victor;
Schatte, Gabriele;
Wu, Gang

Publication type:

Article

Structural, electrical, and magnetic studies of Cu2+ substituted MnFe2O4 nanoferrites synthesized via solution combustion technique.

Published in:

Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 10, p. 7528, doi. 10.1007/s10854-022-07897-4

By:

Sharma, Hem Raj;
Batoo, Khalid Mujasam;
Sharma, Pankaj;
Bhardwaj, Sumit;
Kuchhal, Piyush;
Jasrotia, Rohit;
Sharma, Indu;
Kumar, Gagan

Publication type:

Article

Structural, optical, and dielectric properties of LaFe1−xMnxO3 (x = 0.00, 0.05, 0.10, 0.15, and 0.20) perovskites.

Published in:

Journal of Materials Science: Materials in Electronics, 2019, v. 30, n. 20, p. 18584, doi. 10.1007/s10854-019-02211-1

By:

Triyono, D.;
Laysandra, H.;
Liu, H. L.;
Anugrah, A. W.

Publication type:

Article

Efficient and interpretable graph network representation for angle-dependent properties applied to optical spectroscopy.

Published in:

NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00841-4

By:

Hsu, Tim;
Pham, Tuan Anh;
Keilbart, Nathan;
Weitzner, Stephen;
Chapman, James;
Xiao, Penghao;
Qiu, S. Roger;
Chen, Xiao;
Wood, Brandon C.

Publication type:

Article