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1
Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics
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Article
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Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics

Hagler, A. T.

Journal of computer-aided molecular design, 2019-02, Vol.33 (2), p.205-264 [Peer Reviewed Journal]

Cham: Springer International Publishing

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2
Perspective: Reaches of chemical physics in biology
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Article
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Perspective: Reaches of chemical physics in biology

Gruebele, Martin ; Thirumalai, D.

The Journal of chemical physics, 2013-09, Vol.139 (12), p.121701-121701 [Peer Reviewed Journal]

United States: American Institute of Physics

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3
Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions
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Article
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Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

Walker, Martin ; Harvey, Andrew J. A ; Sen, Ananya ; Dessent, Caroline E. H

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-11, Vol.117 (47), p.12590-12600 [Peer Reviewed Journal]

Washington, DC: American Chemical Society

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4
Quantum Plasmonics: Nonlinear Effects in the Field Enhancement of a Plasmonic Nanoparticle Dimer
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Article
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Quantum Plasmonics: Nonlinear Effects in the Field Enhancement of a Plasmonic Nanoparticle Dimer

Marinica, D.C ; Kazansky, A.K ; Nordlander, P ; Aizpurua, J ; Borisov, A. G

Nano letters, 2012-03, Vol.12 (3), p.1333-1339 [Peer Reviewed Journal]

Washington, DC: American Chemical Society

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5
Anti-resonance features of destructive quantum interference in single-molecule thiophene junctions achieved by electrochemical gating
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Article
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Anti-resonance features of destructive quantum interference in single-molecule thiophene junctions achieved by electrochemical gating

Bai, Jie ; Daaoub, Abdalghani ; Sangtarash, Sara ; Li, Xiaohui ; Tang, Yongxiang ; Zou, Qi ; Sadeghi, Hatef ; Liu, Shuai ; Huang, Xiaojuan ; Tan, Zhibing ; Liu, Junyang ; Yang, Yang ; Shi, Jia ; Mészáros, Gábor ; Chen, Wenbo ; Lambert, Colin ; Hong, Wenjing

Nature materials, 2019-04, Vol.18 (4), p.364-369 [Peer Reviewed Journal]

England: Nature Publishing Group

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6
An overlap fitted chain of spheres exchange method
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Article
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An overlap fitted chain of spheres exchange method

Izsák, Róbert ; Neese, Frank

The Journal of chemical physics, 2011-10, Vol.135 (14), p.144105-144105-11 [Peer Reviewed Journal]

United States: American Institute of Physics

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7
Graphene Spintronic Devices with Molecular Nanomagnets
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Graphene Spintronic Devices with Molecular Nanomagnets

Candini, Andrea ; Klyatskaya, Svetlana ; Ruben, Mario ; Wernsdorfer, Wolfgang ; Affronte, Marco

Nano letters, 2011-07, Vol.11 (7), p.2634-2639 [Peer Reviewed Journal]

Washington, DC: American Chemical Society

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8
A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline
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A questionable excited-state double-proton transfer mechanism for 3-hydroxyisoquinoline

Zhao, Jinfeng ; Chen, Junsheng ; Cui, Yanling ; Wang, Jing ; Xia, Lixin ; Dai, Yumei ; Song, Peng ; Ma, Fengcai

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (2), p.1142-115 [Peer Reviewed Journal]

England

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9
Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives
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Article
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Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives

Zhao, Jinfeng ; Chen, Junsheng ; Liu, Jianyong ; Hoffmann, Mark R

Physical chemistry chemical physics : PCCP, 2015-05, Vol.17 (18), p.11990-11999 [Peer Reviewed Journal]

England

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10
The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae
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Article
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The fundamental role of quantized vibrations in coherent light harvesting by cryptophyte algae

Kolli, Avinash ; O'Reilly, Edward J ; Scholes, Gregory D ; Olaya-Castro, Alexandra

The Journal of chemical physics, 2012-11, Vol.137 (17), p.174109-174109 [Peer Reviewed Journal]

United States

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