Results 201 to 210 of about 5,171,280 (369)

Notice: Jing‐Gang Gai, Yi Ren, Theoretical study of the gas‐phase ion pairs S_N2 reactions of LiX with CH₃SY (X, Y = F, Cl, Br, I)International Journal of Quantum Chemistry (2006) [PDF]

, 2007
Shaoyan Gai, Yi Ren
openalex   +1 more source

A Comprehensive Treatise on Inorganic and Theoretical Chemistry

Nature, 1922
J. Mellor
semanticscholar   +1 more source

Poly(1,4‐anthraquinone) as an Organic Electrode Material: Interplay of the Electronic and Structural Properties due to the Unusual Lone‐Pair‐π Conjugation

Advanced Functional Materials, Volume 35, Issue 12, March 18, 2025.
In this study, the unique role of the unusual lone‐pair‐π conjugation mechanism in poly(1,4‐anthraquinone) (P14AQ) is explored as an organic electrode material. Unlike traditional π‐π interactions, P14AQ's conjugation involves lone pairs of oxygen atoms interacting with the π cloud of adjacent units, enabling stable charge transport even with minimal π‐
Xiaotong Zhang, Piotr de Silva
wiley   +1 more source

The new leader in theoretical and computational chemistry [PDF]

, 2007

openalex   +1 more source

Removing Homocoupling Defects in Alkoxy/Alkyl‐PBTTT Enhances Polymer:Fullerene Co‐Crystal Formation and Stability

Advanced Functional Materials, EarlyView.
PBTTT‐OR‐R, a C14‐alkoxy/alkyl‐PBTTT polymer derivative, is of substantial interest for optoelectronics due to its specific fullerene intercalation behavior and enhanced charge‐transfer absorption. Comparing this polymer with (S) and without (O) homocoupling defects reveals that PBTTT‐OR‐R(O) forms stable co‐crystals with PC61BM, while PBTTT‐OR‐R(S ...
Zhen Liu, Jochen Vanderspikken, Paola Mantegazza, Stefania Moro, Mouna Hamid, Sigurd Mertens, Niko Van den Brande, Laurence Lutsen, Vincent Lemaur, David Beljonne, Giovanni Costantini, Koen Vandewal, Bruno Van Mele, Wouter Maes, Bart Goderis   +14 more
wiley   +1 more source

ANALYTICAL AND THEORETICAL CHEMISTRY OF POWERFUL IMPRESSION TO THE SELECTED PLAYS OF TENDULKAR AND KARNARD [PDF]

, 2022
Mrs. Vaishali Yashwant Bisen, S. C. SINHA   +1 more
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Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Molecular Aspects of the Interactions between Selected Benzodiazepines and Common Adulterants/Diluents: Forensic Application of Theoretical Chemistry Methods. [PDF]

Int J Mol Sci
Džodić J, Marković M, Milenković D, Dimić D.   +3 more
europepmc   +1 more source

The theoretical emperor is wearing the proper clothing! A detailed defense of teaching quantum chemical ideas in undergraduate chemistry courses

, 1988
C. Edmiston
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O + OH → O 2 + H : A key reaction for interstellar chemistry. New theoretical results and comparison with experiment [PDF]

, 2009
François Lique, M. Jorfi, Pascal Honvault, Philippe Halvick, Shi Ying Lin, Hua Guo, Daiqian Xie, Paul J. Dagdigian, Jacek Kłos, M. H. Alexander   +9 more
openalex   +1 more source