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SpringerLink电子期刊(6)
Elsevier电子期刊(18)
ACS电子期刊(11)
在“
ACS电子期刊
”中,
命中:
11
条,耗时:小于0.01 秒
在所有数据库中总计命中:
35
条
1.
Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory
作者:
Prakash Verma
;
Wallace D. Derricotte
;
Francesco
A.
Evangelista
刊名:Journal of Chemical Theory and Computation
出版年:2016
2.
A Deterministic Projector Configuration Interaction Approach for the Ground State of Quantum Many-Body Systems
作者:
Tianyuan Zhang
;
Francesco
A.
Evangelista
刊名:Journal of Chemical Theory and Computation
出版年:2016
3.
Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis
作者:
Chenyang Li
;
Francesco
A.
Evangelista
刊名:Journal of Chemical Theory and Computation
出版年:2015
4.
Calculations of Mode-Specific Tunneling of Double-Hydrogen Transfer in Porphycene Agree with and Illuminate Experiment
作者:
Zahra Homayoon
;
Joel M. Bowman
;
Francesco
A.
Evangelista
刊名:The Journal of Physical Chemistry Letters
出版年:2014
5.
Orthogonality Constrained Density Functional Theory for Electronic Excited States
作者:
Francesco
A.
Evangelista
;
Philip Shushkov
;
John C. Tully
刊名:The Journal of Physical Chemistry A
出版年:2013
6.
Why Are Perfluorocyclobutadiene and Some Other (CF)nq Rings Non-Planar?
作者:
Judy I. Wu
;
Francesco
A.
Evangelista
;
Paul von Ragu Schleyer
刊名:Organic Letters
出版年:2010
7.
Characterization of the BNNO Radical
作者:
Qianyi Cheng
;
Andrew C. Simmonett
;
Francesco
A.
Evangelista
;
Yukio Yamaguchi
;
Henry F. Schaefer
;
III
刊名:Journal of Chemical Theory and Computation
出版年:2010
8.
Low-Lying Triplet States of Diphosphene and Diphosphinylidene
作者:
Tongxiang Lu
;
Qiang Hao
;
Andrew C. Simmonett
;
Francesco
A.
Evangelista
;
Yukio Yamaguchi
;
De-Cai Fang
;
Henry F. Schaefer
;
III
刊名:Journal of Physical Chemistry A
出版年:2010
9.
Water Dimer Radical Cation: Structures, Vibrational Frequencies, and Energetics
作者:
Qianyi Cheng
;
Francesco
A.
Evangelista
;
Andrew C. Simmonett
;
Yukio Yamaguchi
;
Henry F. Schaefer
;
III
刊名:Journal of Physical Chemistry A
出版年:2009
10.
Diphosphene and Diphosphinylidene
作者:
Tongxiang Lu
;
Andrew C. Simmonett
;
Francesco
A.
Evangelista
;
Yukio Yamaguchi
;
Henry F. Schaefer
;
III
刊名:Journal of Physical Chemistry A
出版年:2009
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