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在“
ACS电子期刊
”中,
命中:
90
条,耗时:小于0.01 秒
在所有数据库中总计命中:
17,315
条
1.
Force Field Parametrization of Colloidal CdSe Nanocrystals Using an
Adaptive
Rate Monte Carlo Optimization
Algorithm
作者:
Salvatore Cosseddu
;
Ivan Infante
刊名:Journal of Chemical Theory and Computation
出版年:2017
2.
Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations
作者:
Félix Aviat
;
Antoine Levitt
;
Benjamin Stamm
;
Yvon Maday
;
Pengyu Ren
;
Jay W. Ponder
;
Louis Lagardère
;
Jean-Philip Piquemal
刊名:Journal of Chemical Theory and Computation
出版年:2017
3.
Unraveling Optimal Biomass Processing Routes from Bioconversion Product and Process Networks under Uncertainty: An
Adaptive
Robust Optimization Approach
作者:
Jian Gong
;
Daniel J. Garcia
;
Fengqi You
刊名:ACS Sustainable Chemistry & Engineering
出版年:2016
4.
Extended
Adaptive
Biasing Force
Algorithm
. An On-the-Fly Implementation for Accurate Free-Energy Calculations
作者:
Haohao Fu
;
Xueguang Shao
;
Christophe Chipot
;
Wensheng Cai
刊名:Journal of Chemical Theory and Computation
出版年:2016
5.
Adaptive
Resolution Simulation of Supramolecular Water: The Concurrent Making, Breaking, and Remaking of Water Bundles
作者:
Julija Zavadlav
;
Siewert J. Marrink
;
Matej Praprotnik
刊名:Journal of Chemical Theory and Computation
出版年:2016
6.
Optimal Displacement Parameters in Monte Carlo Simulations
作者:
Pascal Hebbeker
;
Per Linse
;
Stefanie Schneider
刊名:Journal of Chemical Theory and Computation
出版年:2016
7.
Simplified Soft Sensing Model Applied in the Centralized Regenerator of a Distributed Operating Liquid Desiccant Dehumidification System
作者:
Qiong Wu
;
WenJian Cai
;
Xinli Wang
;
Suping Shen
刊名:Industrial & Engineering Chemistry Research
出版年:2016
8.
Size Evolution of the 2e-Superatom in Ligand-Protected Au Nanoclusters: Au2-(AuL)1–12 (L = Cl, SH, SCH3, PH2, and P(CH3)2)
作者:
Wangdan Liu
;
Longjiu Cheng
刊名:Journal of Physical Chemistry C
出版年:2016
9.
The
Adaptive
Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask
作者:
Jeffrey Comer
;
James C. Gumbart
;
J茅r么me H茅nin
;
Tony Leli猫vre
;
Andrew Pohorille
;
Christophe Chipot
刊名:Journal of Physical Chemistry B
出版年:2015
10.
FAST Conformational Searches by Balancing Exploration/Exploitation Trade-Offs
作者:
Maxwell I. Zimmerman
;
Gregory R. Bowman
刊名:Journal of Chemical Theory and Computation
出版年:2015
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