Results 1 to 10 of about 1,659,912 (338)

Editorial: Reaction Dynamics Involving Ions, Radicals, Neutral and Excited Species [PDF]

Front Chem, 2019
Stefano Falcinelli, Antonio Aguilar, Paolo Tosi, Marzio Rosi   +3 more
openalex   +2 more sources

Modulation of Conformational Preferences of Heteroaromatic Ethers and Amides through Protonation and Ionization: Charge Effect

ChemistryOpen, 2019
Multiple approaches reveal the strong effects of a positive charge introduced by protonation or ionization on the conformation of o‐heteroaromatic ethers and amides.
Dr. Wenshuai Dai, Dr. Zhe Zhang, Prof. Yikui Du   +2 more
doaj   +1 more source

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

Decoherence Effects in Reactive Scattering

, 2005
Decoherence effects on quantum and classical dynamics in reactive scattering are examined using a Caldeira-Leggett type model. Through a study of dynamics of the collinear H+H2 reaction and the transmission over simple one-dimensional barrier potentials,
Heekyung Han, Liboff R. L., Miller W. H., Paul Brumer, Rice S. A.   +4 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

Evidence of the effect of strong stripping channels on the dynamics of the Li8+Ni58 reaction [PDF]

, 2021
O. C. B. Santos, R. Lichtenthäler, K. C. C. Pires, U. Umbelino, E. O. N. Zevallos, A. L. de Lara, A. S. Serra, V. Scarduelli, J A Alcántara-Núñez, V. Guimarães, A. Lépine‐Szily, J. C. Zamora, A. M. Moro, S. Appannababu, M. Assunção, A. Barioni, R. Linares, V. A. B. Zagatto, P. N. de Faria, M. C. Morais, V. Morcelle, J. M. B. Shorto, Jin Lei   +22 more
openalex   +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

Carbonation Reaction Mechanisms of Portlandite Predicted from Enhanced Ab Initio Molecular Dynamics Simulations [PDF]

, 2021
Sylvia M. Mutisya, Andrey G. Kalinichev
openalex   +1 more source

A Classical Approach in Simple Nuclear Fusion Reaction 1H2 + 1H3 using Two-Dimension Granular Molecular Dynamics Model

, 2011
Molecular dynamics in 2-D accompanied by granular model provides an opportunity to investigate binding between nuclei particles and its properties that arises during collision in a fusion reaction.
Kurniadi, Rizal, Perkasa, Yudha Satya, Viridi, Sparisoma, Waris, Abdul   +3 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