Exploring potential energy surfaces for chemical reactions: an overview of some practical methods

HB Schlegel - Journal of computational chemistry, 2003 - Wiley Online Library
… E/∂R| P we need to take into account that P is not converged and that the transformation
between the nonorthogonal atomic orbital basis and the orthonormal basis depends on R. This …

diveRsity: An R package for the estimation and exploration of population genetics parameters and their associated errors

K Keenan, P McGinnity, TF Cross… - Methods in ecology …, 2013 - Wiley Online Library
We present a new R package, diveRsity , for the calculation of various diversity statistics,
including common diversity partitioning statistics (θ, G ST ) and population differentiation …

Smmr-explore: Submap-based multi-robot exploration system with multi-robot multi-target potential field exploration method

J Yu, J Tong, Y Xu, Z Xu, H Dong… - … on Robotics and …, 2021 - ieeexplore.ieee.org
potential fields of other targets, leading to the local minimums. Therefore we slow down the
decrease in potential’s impact by replacing square of distance r … physical electrical potential. …

[PDF][PDF] Exploring potential of 4-thiazolidinone: a brief review

M Abhinit, M Ghodke, NA Pratima - Int J Pharm Pharm Sci, 2009 - researchgate.net
… of many researchers to explore this skeleton to its multiple potential against several
activities. … And in conclusion remarkable inhibition was observed in compounds bearing R=phenyl, …

[HTML][HTML] ranacapa: An R package and Shiny web app to explore environmental DNA data with exploratory statistics and interactive visualizations

GS Kandlikar, ZJ Gold, MC Cowen, RS Meyer… - …, 2018 - ncbi.nlm.nih.gov
R software package and shiny app called "ranacapa", aimed at producing rapid visualization
and exploration … The R shiny app was easy to explore using the demo dataset, and the plots …

Exploring potential energy surfaces for aggregation‐induced emission—from solution to crystal

R Crespo‐Otero, Q Li… - Chemistry–An Asian …, 2019 - Wiley Online Library
… , such as restriction of intramolecular rotations (RIR), and the calculation of non‐radiative
rates with Fermi's golden rule (FGR), we center on studies of the global excited‐state potential

Constrained Broyden dimer method with bias potential for exploring potential energy surface of multistep reaction process

C Shang, ZP Liu - Journal of Chemical Theory and Computation, 2012 - ACS Publications
… To solve this problem, we add a bias potential V N onto the PES of image R 1 as in eq 4 to
constrain the mode near the initial defined one. While a variety of mathematic functions, such …

qmethod: A package to explore human perspectives using Q methodology

A Zabala - The R Journal, 2014 - oro.open.ac.uk
… Abstract Q is a methodology to explore the distinct subjective … This package is the first to
perform Q analysis in R, and it … and tabulated form ready for further exploration and modelling, it …

Exploring the potential of tree-based ensemble methods in solar radiation modeling

MA Hassan, A Khalil, S Kaseb, MA Kassem - Applied Energy, 2017 - Elsevier
… This article provides the first comprehensive study to explore the potential of tree-based
ensemble methods in modeling solar radiation. Gradient boosting, bagging and random forest (…

Resource potential, exploration and development prospect of shale gas in the whole world

D DONG, C ZOU, J LI, S WANG, X LI… - Geological Bulletin of …, 2011 - dzhtb.cgs.cn
… gas exploration and development, this paper made an exposition of the main sit6 uation of
shale gas exploration … gas, and analyzed resource potential and distribution features of global …