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在“
ACS电子期刊
”中,
命中:
32
条,耗时:小于0.01 秒
在所有数据库中总计命中:
4,497
条
1.
Modeling of RAFT Polymerization Processes Using an Efficient
Monte
Carlo
Algorithm in Julia
作者:
Esteban Pintos
;
Claudia Sarmoria
;
Adriana Brandolin
;
Mariano Asteasuain
刊名:Industrial & Engineering Chemistry Research
出版年:2016
2.
BROMOCEA
Code
: An Improved Grand Canonical
Monte
Carlo
/Brownian Dynamics Algorithm Including Explicit Atoms
作者:
Carlo
s J. F. Solano
;
Karunakar R. Pothula
;
Jigneshkumar D. Prajapati
;
Pablo M. De Biase
;
Sergei Yu. Noskov
;
Ulrich Kleinekathöfer
刊名:Journal of Chemical Theory and Computation
出版年:2016
3.
An Efficient Computational Approach for the Calculation of the Vibrational Density of States
作者:
Chiara Aieta
;
Fabio Gabas
;
Michele Ceotto
刊名:Journal of Physical Chemistry A
出版年:2016
4.
Atomic Spectral Methods for Ab Initio Molecular Electronic Energy Surfaces: Transitioning From Small-Molecule to Biomolecular-Suitable Approaches
作者:
Jeffrey D. Mills
;
Michal Ben-Nun
;
Kyle Rollin
;
Michael W. J. Bromley
;
Jiabo Li
;
Robert J. Hinde
;
Carl L. Winstead
;
Jeffrey A. Sheehy
;
Jerry A. Boatz
;
Peter W. Langhoff
刊名:Journal of Physical Chemistry B
出版年:2016
5.
Ab Initio, Embedded Local-Monomer Calculations of Methane Vibrational Energies in Clathrate Hydrates
作者:
Chen Qu
;
Joel M. Bowman
刊名:Journal of Physical Chemistry C
出版年:2016
6.
Pruning the Hamiltonian Matrix in MULTIMODE: Test for C2H4 and Application to CH3NO2 Using a New Ab Initio Potential Energy Surface
作者:
Xiaohong Wang
;
Stuart Carter
;
Joel M. Bowman
刊名:Journal of Physical Chemistry A
出版年:2015
7.
A 鈥淪tepping Stone鈥?Approach for Obtaining Quantum Free Energies of Hydration
作者:
Chris Sampson
;
Thomas Fox
;
Christofer S. Tautermann
;
Christopher Woods
;
Chris-Kriton Skylaris
刊名:Journal of Physical Chemistry B
出版年:2015
8.
FlexAID: Revisiting Docking on Non-Native-Complex Structures
作者:
Francis Gaudreault
;
Rafael J. Najmanovich
刊名:Journal of Chemical Information and Modeling
出版年:2015
9.
Three-Dimensional Brownian Dynamics Simulator for the Study of Ion Permeation through Membrane Pores
作者:
Claudio Berti
;
Simone Furini
;
Dirk Gillespie
;
Dezs艖 Boda
;
Robert S. Eisenberg
;
Enrico Sangiorgi
;
Claudio Fiegna
刊名:Journal of Chemical Theory and Computation
出版年:2014
10.
A Detailed Model on Kinetics and Microstructure Evolution during Copolymerization of Ethylene and 1-Octene: From Coordinative Chain Transfer to Chain Shuttling Polymerization
作者:
Yousef Mohammadi
;
Mostafa Ahmadi
;
Mohammad Reza Saeb
;
Mohammad Mehdi Khorasani
;
Pianpian Yang
;
Florian J. Stadler
刊名:Macromolecules
出版年:2014
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