Results 71 to 80 of about 1,657,402 (197)

Experimental determination of structural motifs of interference-free water undecamer cluster (H2O)11

Nature Communications
Structural characterization of archetypal water clusters is essential for exploring the nature of aqueous hydrogen-bonding interactions that are responsible for the properties of water.
Tiantong Wang, Yang-Yang Zhang, Shuai Jiang, Wenhui Yan, Shangdong Li, Huijun Zheng, Jun-Bo Lu, Han-Shi Hu, Jiayue Yang, Weiqing Zhang, Guorong Wu, Hua Xie, Gang Li, Jun Li, Ling Jiang, Xueming Yang   +15 more
doaj   +1 more source

Simulation of chemical reaction dynamics on an NMR quantum computer

, 2011
Quantum simulation can beat current classical computers with minimally a few tens of qubits and will likely become the first practical use of a quantum computer.
C. Zalka, Dawei Lu, Hongwei Chen, J. Baugh, Jiangbin Gong, Jiangfeng Du, M. Shapiro, M. A. Nielson, Nanyang Xu, P. Shor, Ruixue Xu, S. A. Rice, Xinhua Peng   +12 more
core   +1 more source

reaction dynamics

, 2014
Citation: 'reaction dynamics' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.R05170 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

Formamidinium Lead Bromide (FAPbBr3) Perovskite Microcrystals for Sensitive and Fast Photodetectors

Nano-Micro Letters, 2018
Because of the good thermal stability and superior carrier transport characteristics of formamidinium lead trihalide perovskite HC(NH2)2PbX3 (FAPbX3), it has been considered to be a better optoelectronic material than conventional CH3NH3PbX3 (MAPbX3 ...
Fengying Zhang, Bin Yang, Kaibo Zheng, Songqiu Yang, Yajuan Li, Weiqiao Deng, Rongxing He   +6 more
doaj   +1 more source

Non-Markovian polymer reaction kinetics

, 2012
Describing the kinetics of polymer reactions, such as the formation of loops and hairpins in nucleic acids or polypeptides, is complicated by the structural dynamics of their chains.
A Dua, A Grosberg, A Möglich, A Szabo, A-T Dinh, A-T Dinh, AE Likthman, B Friedman, B Friedman, B Friedman, D Panja, E Peters, F Oshanin, G Bonnet, G Wilemski, G Wilemski, IM Sokolov, J Kim, J-F Allemand, LJ Lapidus, M Buscaglia, M Doi, M Doi, M Dolgushev, M Ortiz-Repiso, M Ortiz-Repiso, MI Wallace, NM Toan, O Bénichou, O. Bénichou, P-G De Gennes, R Pastor, R. Voituriez, S Condamin, S Condamin, S Nechaev, S Redner, S Sunagawa, SY Wong, T Uzawa, T. Guérin, X Wang   +41 more
core   +1 more source

A comparative review of time-resolved x-ray and electron scattering to probe structural dynamics

Structural Dynamics
The structure of molecules, particularly the dynamic changes in structure, plays an essential role in understanding physical and chemical phenomena. Time-resolved (TR) scattering techniques serve as crucial experimental tools for studying structural ...
Yunbeom Lee, Key Young Oang, Doyeong Kim, Hyotcherl Ihee   +3 more
doaj   +1 more source

MOLECULAR DYNAMICS OF CHEMICAL REACTIONS [PDF]

Pure and Applied Chemistry, 1976
Abstract Molecular beam and spectroscopic techniques allow detailed study of many dynamical properties of single reactive collisions. The chemical scope of these methods is now very wide and includes certain unimolecular and termolecular reactions as well as bimolecular reactions and energy transfer processes. Results for more than 50 families of A +
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Quantum dots enabling all-in-one controllable polymerization through triplet energy transfer

Nature Communications
Colloidal quantum dots (QDs) have recently emerged as a class of initiators or activators for photopolymerization, typically relying on photoinduced charge transfer from QDs to co-additives. Here we report efficient photopolymerization of acrylates using
Yongshun Lyu, Heran Nie, Jun Du, Kaifeng Wu   +3 more
doaj   +1 more source

Computational Spectroscopy and Reaction Dynamics

CHIMIA, 2011
Physico- and bio-chemical processes on the femto- to picosecond time scale are ideally suited to be investigated with all-atom simulations. They include, amongst others, vibrational relaxation, ligand migration in sterically demanding environments (proteins, ices), or vibrational spectra.
Cazade, Pierre-Andre, Lutz, Stephan, Lee, Myung Won, Meuwly, Markus   +3 more
openaire   +6 more sources

Mode-coupling theory for reaction dynamics in liquids

, 2003
A theory for chemical reaction dynamics in condensed phase systems based on the generalized Langevin formalism of Grote and Hynes is presented. A microscopic approach to calculate the dynamic friction is developed within the framework of a combination of
Bagchi B., Berne B. J., Dellago C., Eran Rabani, Nurit Shental   +4 more
core   +1 more source