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Wiley电子期刊(15)
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ACS电子期刊(22)
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在“
ACS电子期刊
”中,
命中:
22
条,耗时:0.0849515 秒
在所有数据库中总计命中:
1,792
条
1.
DFTB/PCM Applied to Ground and Excited State Potential Energy Surfaces
作者:
Yoshio Nishimoto
刊名:Journal
of
Physical Chemistry A
出版年:2016
2.
Toward Prediction
of
the Chemistry in Ionic Liquids: An Accurate Computation
of
Absolute pKa Values
of
Benzoic Acids and Benzenethiols
作者:
Xiao-Song Xue
;
Ya Wang
;
Chen Yang
;
Pengju Ji
;
Jin-Pei Cheng
刊名:Journal
of
Organic Chemistry
出版年:2015
3.
Exploring the Local Elastic Properties
of
Bilayer Membranes Using Molecular Dynamics Simulations
作者:
Gilles Pieffet
;
Alonso Botero
;
G眉nther H. Peters
;
Manu Forero-Shelton
;
Chad Leidy
刊名:Journal
of
Physical Chemistry B
出版年:2014
4.
Cluster-
Continuum
Calculations
of
Hydration Free Energies
of
Anions and Group 12 Divalent Cations
作者:
Demian Riccardi
;
Hao-Bo Guo
;
Jerry M. Parks
;
Baohua Gu
;
Liyuan Liang
;
Jeremy C. Smith
刊名:Journal
of
Chemical Theory and Computation
出版年:2013
5.
Including the Dispersion Attraction into Structure-Adapted Fast Multipole Expansions for MD Simulations
作者:
Konstantin Lorenzen
;
Christoph Wichmann
;
Paul Tavan
刊名:Journal
of
Chemical Theory and Computation
出版年:2014
6.
A Tale
of
Two
Care
nes: Intrinsic Optical Activity and Large-Amplitude Nuclear Displacement
作者:
Priyanka Lahiri
;
Kenneth B. Wiberg
;
Patrick H. Vaccaro
刊名:The Journal
of
Physical Chemistry A
出版年:2012
7.
Use
of
Solution-Phase Vibrational Frequencies in
Continuum
Models for the Free Energy
of
Solvation
作者:
Raphael F. Ribeiro
;
Aleksandr V. Marenich
;
Christopher J. Cramer
;
Donald G. Truhlar
刊名:Journal
of
Physical Chemistry B
出版年:2011
8.
General Time Dependent Approach to Vibronic Spectroscopy Including Franck鈥揅ondon, Herzberg鈥揟eller, and Duschinsky Effects
作者:
Alberto Baiardi
;
Julien Bloino
;
Vincenzo Barone
刊名:Journal
of
Chemical Theory and Computation
出版年:2013
9.
Enhanced Field Emission and Optical Properties
of
Controlled Tapered ZnS Nanostructures
作者:
Muhammad Hafeez
;
Tianyou Zhai
;
Arshad S. Bhatti
;
Yoshio Bando
;
Dmitri Golberg
刊名:The Journal
of
Physical Chemistry C
出版年:2012
10.
Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air鈥揥ater Interface
作者:
Marcel D. Baer
;
Abraham C. Stern
;
Yan Levin
;
Douglas J. Tobias
;
Christopher J. Mundy
刊名:The Journal
of
Physical Chemistry Letters
出版年:2012
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