相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。An Exact Algorithm to Detect the Percolation Transition in Molecular Dynamics Simulations of Cross-Linking Polymer Networks
Mattia Livraghi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2021)
Three concomitant C-C dissociation pathways during the mechanical activation of an N-heterocyclic carbene precursor
Robert Nixon et al.
NATURE CHEMISTRY (2020)
Validation of the CoGEF Method as a Predictive Tool for Polymer Mechanochemistry
Isabel M. Klein et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Reaction Cascades in Polymer Mechanochemistry
Huan Hu et al.
MATERIALS CHEMISTRY FRONTIERS (2020)
Examining the Ways To Bend and Break Reaction Pathways Using Mechanochemistry
Allison G. Roessler et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Mechanochemistry as an emerging tool for molecular synthesis: what can it offer?
Joseph L. Howard et al.
CHEMICAL SCIENCE (2018)
Polymer Mechanochemistry: Manufacturing Is Now a Force to Be Reckoned With
Niamh Willis-Fox et al.
CHEM (2018)
Experimental Polymer Mechanochemistry and its Interpretational Frameworks
Sergey Akbulatov et al.
CHEMPHYSCHEM (2017)
Reaction Coordinates and Pathways of Mechanochemical Transformations
Stanislav M. Avdoshenko et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Bond breaking in stretched molecules: multi-reference methods versus density functional theory
Gary S. Kedziora et al.
THEORETICAL CHEMISTRY ACCOUNTS (2016)
Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer
Charles E. Diesendruck et al.
NATURE CHEMISTRY (2014)
Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics
Jordi Ribas-Arino et al.
CHEMICAL REVIEWS (2012)
Polymer Mechanochemistry: Force Enabled Transformations
Kelly M. Wiggins et al.
ACS MACRO LETTERS (2012)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
From molecular mechanochemistry to stress-responsive materials
Ashley L. Black et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
The physical chemistry of mechanoresponsive polymers
Timothy J. Kucharski et al.
JOURNAL OF MATERIALS CHEMISTRY (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Understanding Covalent Mechanochemistry
Jordi Ribas-Arino et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Mechanically-Induced Chemical Changes in Polymeric Materials
Mary M. Caruso et al.
CHEMICAL REVIEWS (2009)
First Principles Dynamics and Minimum Energy Pathways for Mechanochemical Ring Opening of Cyclobutene
Mitchell T. Ong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Biasing reaction pathways with mechanical force
Charles R. Hickenboth et al.
NATURE (2007)
Mechanochemistry: The mechanical activation of covalent bonds
MK Beyer et al.
CHEMICAL REVIEWS (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
The mechanical strength of a covalent bond calculated by density functional theory
MK Beyer
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
