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内部出版物
SpringerLink电子期刊(4)
Elsevier电子期刊(3)
ACS电子期刊(40)
在“
ACS电子期刊
”中,
命中:
40
条,耗时:小于0.01 秒
在所有数据库中总计命中:
47
条
1.
Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes
作者:
Bo Peng
;
Niranjan
Govind
;
Edoardo ApràMichael Klemm
;
Jeff R. Hammond
;
Karol Kowalski
刊名:Journal of Physical Chemistry A
出版年:2017
2.
Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations
作者:
Sean A. Fischer
;
Edoardo Aprà
Niranjan
Govind
;
Wayne P. Hess
;
Patrick Z. El-Khoury
刊名:Journal of Physical Chemistry A
出版年:2017
3.
Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C–H Region of DMSO as a Case Study
作者:
Sean A. Fischer
;
Tyler W. Ueltschi
;
Patrick Z. El-Khoury
;
Amanda L. Mifflin
;
Wayne P. Hess
;
Hong-Fei Wang
;
Christopher J. Cramer
;
Niranjan
Govind
刊名:Journal of Physical Chemistry B
出版年:2016
4.
Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine
作者:
Sean A. Fischer
;
Christopher J. Cramer
;
Niranjan
Govind
刊名:The Journal of Physical Chemistry Letters
出版年:2016
5.
Time-Domain Simulations of Transient Species in Experimentally Relevant Environments
作者:
Tyler W. Ueltschi
;
Sean A. Fischer
;
Edoardo Aprà
;
Alexander N. Tarnovsky
;
Niranjan
Govind
;
Patrick Z. El-Khoury
;
Wayne P. Hess
刊名:Journal of Physical Chemistry A
出版年:2016
6.
Precursor Ion–Ion Aggregation in the Brust–Schiffrin Synthesis of Alkanethiol Nanoparticles
作者:
Trent R. Graham
;
Ryan Renslow
;
Niranjan
Govind
;
Steven R. Saunders
刊名:Journal of Physical Chemistry C
出版年:2016
7.
Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor鈥揃ridge鈥揂cceptor Systems
作者:
Guangqi Li
;
Niranjan
Govind
;
Mark A. Ratner
;
Christopher J. Cramer
;
Laura Gagliardi
刊名:The Journal of Physical Chemistry Letters
出版年:2015
8.
Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT
作者:
Jiri Brabec
;
Lin Lin
;
Meiyue Shao
;
Niranjan
Govind
;
Chao Yang
;
Yousef Saad
;
Esmond G. Ng
刊名:Journal of Chemical Theory and Computation
出版年:2015
9.
Excited State Absorption from Real-Time Time-Dependent Density Functional Theory
作者:
Sean A. Fischer
;
Christopher J. Cramer
;
Niranjan
Govind
刊名:Journal of Chemical Theory and Computation
出版年:2015
10.
Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory
作者:
Yu Zhang
;
Shaul Mukamel
;
Munira Khalil
;
Niranjan
Govind
刊名:Journal of Chemical Theory and Computation
出版年:2015
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