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ACS电子期刊(55)
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在“
ACS电子期刊
”中,
命中:
55
条,耗时:小于0.01 秒
在所有数据库中总计命中:
99
条
1.
Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study
作者:
Anita Das
;
Thomas Müller
;
Felix Plasser
;
Hans
Lischka
刊名:Journal of Physical Chemistry A
出版年:2016
2.
Insight into the Excited State Electronic and Structural Properties of the Organic Photovoltaic Donor Polymer Poly(thieno[3,4-b]thiophene benzodithiophene) by Means of ab Initio and Density Functional Theory
作者:
Itamar Borges Jr.
;
Elmar Uhl
;
Lucas Modesto-Costa
;
Adélia J. A. Aquino
;
Hans
Lischka
刊名:Journal of Physical Chemistry C
出版年:2016
3.
Intramolecular Charge-Transfer Excited-State Processes in 4-(N,N-Dimethylamino)benzonitrile: The Role of Twisting and the 蟺蟽* State
作者:
Ivelina Georgieva
;
Ad茅lia J. A. Aquino
;
Felix Plasser
;
Natasha Trendafilova
;
Andreas K枚hn
;
Hans
Lischka
刊名:Journal of Physical Chemistry A
出版年:2015
4.
Thermochemical and Kinetics of Hydrazine Dehydrogenation by an Oxygen Atom in Hydrazine-Rich Systems: A Dimer Model
作者:
Rene F. K. Spada
;
Luiz F. A. Ferr?o
;
Orlando Roberto-Neto
;
Hans
Lischka
;
Francisco B. C. Machado
刊名:Journal of Physical Chemistry A
出版年:2015
5.
Absorption and Fluorescence Spectra of Poly(p-phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation
作者:
Thiago M. Cardozo
;
Ad茅lia J. A. Aquino
;
Mario Barbatti
;
Itamar Borges
;
Jr.
;
Hans
Lischka
刊名:Journal of Physical Chemistry A
出版年:2015
6.
Hydrogen Abstraction from the Hydrazine Molecule by an Oxygen Atom
作者:
Rene F. K. Spada
;
Luiz F. A. Ferr茫o
;
Roberta J. Rocha
;
Koshun Iha
;
Jos茅 A. F. F. Rocco
;
Orlando Roberto-Neto
;
Hans
Lischka
;
Francisco B. C. Machado
刊名:Journal of Physical Chemistry A
出版年:2015
7.
Direct Dynamics Simulation of the Activation and Dissociation of 1,5-Dinitrobiuret (HDNB)
作者:
Rui Sun
;
Matthew R. Siebert
;
Lai Xu
;
Steven D. Chambreau
;
G
hans
hyan L. Vaghjiani
;
Hans
Lischka
;
Jianbo Liu
;
William L. Hase
刊名:Journal of Physical Chemistry A
出版年:2014
8.
Rotational Barrier in Phenalenyl Neutral Radical Dimer: Separating Pancake and van der Waals Interactions
作者:
Zhong-hua Cui
;
Hans
Lischka
;
Habtamu Z. Beneberu
;
Miklos Kertesz
刊名:Journal of the American Chemical Society
出版年:2014
9.
Surface Hopping Dynamics with Correlated Single-Reference Methods: 9H-Adenine as a Case Study
作者:
Felix Plasser
;
Rachel Crespo-Otero
;
Marek Pederzoli
;
Jiri Pittner
;
Hans
Lischka
;
Mario Barbatti
刊名:Journal of Chemical Theory and Computation
出版年:2014
10.
Double Pancake Bonds: Pushing the Limits of Strong 蟺鈥撓€ Stacking Interactions
作者:
Zhong-hua Cui
;
Hans
Lischka
;
Habtamu Z. Beneberu
;
Miklos Kertesz
刊名:Journal of the American Chemical Society
出版年:2014
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