Results 101 to 110 of about 4,488,130 (223)

Unveiling the Influence of Linkers on Conformations of Oligomeric Acceptors for High‐Performance Polymer Solar Cells

Advanced Science
Conformational isomerism of organic photovoltaic materials has a profound impact on their molecular packing and therefore performance of polymer solar cells (PSCs).
Jingnan Wu, Fengbo Sun, Xunchang Wang, Qiaonan Chen, Leandro R. Franco, Xufan Zheng, C. Moyses Araujo, Renqiang Yang, Donghong Yu, Ergang Wang   +9 more
doaj   +1 more source

Understanding the Molecular Conformation and Viscoelasticity of Low Sol-Gel Transition Temperature Gelatin Methacryloyl Suspensions. [PDF]

Int J Mol Sci, 2023
Padilla C, Quero F, Pępczyńska M, Díaz-Calderon P, Acevedo JP, Byres N, Blaker JJ, MacNaughtan W, Williams HEL, Enrione J.   +9 more
europepmc   +1 more source

¹H NMR study of the molecular conformation of the exocyclic linkage 5′‐β‐nucleotides in solution — correlation between C(4′)—C(5′) and C(5′)—O(5′) conformer populations and the influence of the base [PDF]

, 1973
D.J. Wood, Richard Mynott, Frank E. Hruska, Ramaswamy H. Sarma   +3 more
openalex   +1 more source

The Molecular Structure and Conformational Composition of 3-Buten-1-ol as Studied by Gas Electron Diffraction. [PDF]

, 1979
M. Trætteberg, Herta Østensen, Reijo Hämäläinen, G. Olofsson, В. Б. Соколов, V. P. Spiridonov, T. G. Strand   +6 more
openalex   +1 more source

The molecular conformation, but not disaggregation, of humic acid in water solution plays a crucial role in promoting plant development in the natural environment. [PDF]

Front Plant Sci, 2023
Aranaz J, de Hita D, Olaetxea M, Urrutia O, Fuentes M, Baigorri R, Garnica M, Movila M, Zamarreño AM, Erro J, Baquero E, Gonzalez-Gaitano G, Alvarez JI, Garcia-Mina JM.   +13 more
europepmc   +1 more source

WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction [PDF]

arXiv
Predicting molecular ground-state conformation (i.e., energy-minimized conformation) is crucial for many chemical applications such as molecular docking and property prediction. Classic energy-based simulation is time-consuming when solving this problem while existing learning-based methods have advantages in computational efficiency but sacrifice ...
arxiv  

Conformational Analysis of N,N'-Dimethyl-N,N'-diacyl-1,2-diaminoethanes and -1,3-diaminopropanes and Their Thio Analogues. A 1H NMR and Molecular Mechanics Study Including Dipole-dipole Interactions. [PDF]

, 1977
Sören Karlsson, Tommy Liljefors, Jan Sandström, Bo Chang, Farouk S. El‐Feraly, Jan-Erik Berg, Anne‐Marie Pilotti   +6 more
openalex   +1 more source

The influence of KCl concentration on the gelation of myofibrillar protein giant squid (Dosidicus gigas) due to molecular conformation change. [PDF]

Front Nutr, 2022
Niu F, Ma S, Zhang X, Ritzoulis C, Chen Y, Pan W.   +5 more
europepmc   +1 more source

Conformational Analysis. VII. The Molecular Structure and Torsional Oscillations of Gaseous Octachloropropane (C3Cl3) as Determined by Electron Diffraction and Compared with Semi-empirical (Molecular Mechanics) Calculations. [PDF]

, 1974
Liv Fernholt, Reidar Stølevik, S. Quézel   +2 more
openalex   +1 more source

The Mechanism Underlying the Amylose-Zein Complexation Process and the Stability of the Molecular Conformation of Amylose-Zein Complexes in Water Based on Molecular Dynamics Simulation. [PDF]

Foods, 2023
Wang C, Ji N, Dai L, Qin Y, Shi R, Xiong L, Sun Q.   +6 more
europepmc   +1 more source