Singlet–Triplet Gaps through Incremental Full Configuration Interaction (Unknown)
- New search for: Zimmerman, Paul M.
- New search for: Zimmerman, Paul M.
In:
The Journal of Physical Chemistry A
;
121
, 24
;
4712-4720
;
2017
- Article (Journal) / Electronic Resource
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Title:Singlet–Triplet Gaps through Incremental Full Configuration Interaction
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Additional title:J. Phys. Chem. A
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Contributors:Zimmerman, Paul M. ( author )
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Published in:The Journal of Physical Chemistry A ; 121, 24 ; 4712-4720
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Publisher:
- New search for: American Chemical Society
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Publication date:2017-06-22
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:Unknown
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Source:
Table of contents – Volume 121, Issue 24
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 4595
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Excited-State Dynamics of 2‑(2′-Hydroxyphenyl)benzothiazole: Ultrafast Proton Transfer and Internal ConversionPijeau, Shiela / Foster, Donneille / Hohenstein, Edward G. et al. | 2017
- 4606
-
Structure and Dissociation Pathways of Protonated Tetralin (1,2,3,4-Tetrahydronaphthalene)Vala, Martin / Oomens, Jos / Berden, Giel et al. | 2017
- 4613
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J‑Type Heteroexciton Coupling Effect on an Asymmetric Donor–Acceptor–Donor-Type FluorophoreKitagawa, Yuichi / Yachi, Ryuto / Nakanishi, Takayuki / Fushimi, Koji / Hasegawa, Yasuchika et al. | 2017
- 4619
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IR Spectra of n‑Bu4M (M = Si, Ge, Sn, Pb), n‑BuAuPPh3‑d 15, and “n‑Bu” on a Gold SurfaceKaleta, Jiří / Bednárová, Lucie / Čížková, Martina / Wen, Jin / Kaletová, Eva / Michl, Josef et al. | 2017
- 4626
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Photoreactions of Porphyrins Initiated by Deep Ultraviolet Single PhotonsChen, Jing / Luo, Zhixun / Fu, Hongbing / Yao, Jiannian et al. | 2017
- 4633
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Substitution Effects on the Photoinduced Charge-Transfer Properties of Novel Perylene-3,4,9,10-tetracarboxylic Acid DerivativesInan, Damla / Dubey, Rajeev K. / Westerveld, Nick / Bleeker, Jorrit / Jager, Wolter F. / Grozema, Ferdinand C. et al. | 2017
- 4645
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Mechanism for the Excited-State Multiple Proton Transfer Process of Dihydroxyanthraquinone ChromophoresZhou, Qiao / Du, Can / Yang, Li / Zhao, Meiyu / Dai, Yumei / Song, Peng et al. | 2017
- 4652
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Experimental and Theoretical Investigation of the Reaction NO + OH + O2 → HO2 + NO2Fittschen, Christa / Assaf, Emmanuel / Vereecken, Luc et al. | 2017
- 4658
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Thermal Decomposition of Potential Ester Biofuels. Part I: Methyl Acetate and Methyl ButanoatePorterfield, Jessica P. / Bross, David H. / Ruscic, Branko / Thorpe, James H. / Nguyen, Thanh Lam / Baraban, Joshua H. / Stanton, John F. / Daily, John W. / Ellison, G. Barney et al. | 2017
- 4678
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The Role of Ligand Steric Bulk in New Monovalent Aluminum CompoundsTomlinson, Warren W. / Mayo, Dennis H. / Wilson, Rebecca M. / Hooper, Joseph P. et al. | 2017
- 4688
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Reactive Molecular Dynamics Simulations to Understand Mechanical Response of Thaumasite under Temperature and Strain Rate EffectsHajilar, Shahin / Shafei, Behrouz / Cheng, Tao / Jaramillo-Botero, Andres et al. | 2017
- 4698
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Improved pK a Prediction of Substituted Alcohols, Phenols, and Hydroperoxides in Aqueous Medium Using Density Functional Theory and a Cluster-Continuum Solvation ModelThapa, Bishnu / Schlegel, H. Bernhard et al. | 2017
- 4707
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Explicitly Correlated Orbital Optimized Contracted Pair Correlation Methods: A Short OverviewLasar, Christian / Klüner, Thorsten et al. | 2017
- 4712
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Singlet–Triplet Gaps through Incremental Full Configuration InteractionZimmerman, Paul M. et al. | 2017
- 4721
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The Hydration Effect and Selectivity of Alkali Metal Ions on Poly(ethylene glycol) Models in Cyclic and Linear TopologyPoudel, Lokendra / Podgornik, Rudolf / Ching, Wai-Yim et al. | 2017