Results 211 to 220 of about 71,384 (267)

Confined Hot Carrier Cooling Via Excited‐State Energy Gap Engineering in Graphyne Carbon Allotropes

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The excited‐state energy gap (EEG), regulated by the concentration of sp‐hybridized carbon, provides an effective handle for tuning electron–phonon coupling behavior. This design enables long‐lived confinement of hot carriers near the top of the EEG with controllable energy levels.
Fulong Dai, Zhaozhao Xiong, Yingcong Liu, Feiyu Cheng, Haochun Sun, Zhenfa Zheng, Jin Zhao, Zhuojian Liang, Zhuo Kang, Yue Zhang   +9 more
wiley   +1 more source

Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory. [PDF]

J Comput Chem
Mortera-Carbonell AJ, Hernández-Trujillo J, Francisco E, Pendás AM.   +3 more
europepmc   +1 more source

Observation of the Parity-Dependent Nonadiabatic Photodissociation of <i>trans</i>-HONO. [PDF]

JACS Au
Lu Z, Hou S, Wang P, Zhang Y, Li S, Wu F, Li F, Guo R, Yuan D, Xie C, Yuan K, Parker DH, Yang X, Wang X.   +13 more
europepmc   +1 more source

Generative AI for computational chemistry: A roadmap to predicting emergent phenomena. [PDF]

Proc Natl Acad Sci U S A
Tiwary P, Herron L, John R, Lee S, Sanwal D, Wang R.   +5 more
europepmc   +1 more source

Persistent Mono-Oxo Bonding with Protactinium(V) Revealed in Highly Acidic Chloride Solutions. [PDF]

Angew Chem Int Ed Engl
Maloubier M, Shaaban T, Réal F, Le Naour C, Oher H, Aubert T, Solari PL, Siberchicot B, Maurice R, Vallet V.   +9 more
europepmc   +1 more source

Nuclear quantum dynamics of boric acid as probed by a thermal-to-epithermal neutron station. [PDF]

Sci Rep
Dziedzic-Kocurek K, Silarski M, Drużbicki K, Grabowski P, Krzystyniak M.   +4 more
europepmc   +1 more source

Fine Structure Investigation and Laser Cooling Study of the CdBr Molecule. [PDF]

Int J Mol Sci
Mostafa A, Zeid I, Abu El Kher N, El-Kork N, Korek M.   +4 more
europepmc   +1 more source

Ab initio quantum chemical methods applied to mechanistic problems in physical organic chemistry : two-hydron transfer reactions, homoaromaticity and rearrangements of carbocations

, 1992
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