Results 91 to 100 of about 1,657,402 (197)

E2/S_N2 Selectivity Driven by Reaction Dynamics. Insight into Halogen Bonding. [PDF]

Precis Chem, 2023
Zhao S, Wang H, Fu G, Zhen W, Liu M, Yang L, Zhang J.   +6 more
europepmc   +1 more source

Multiple Dissociation Pathways in HNCO Decomposition Governed by Potential Energy Surface Topography

JACS Au, 2023
Zhiguo Zhang, Hao Wu, Zhichao Chen, Yanlin Fu, Bina Fu, Dong H. Zhang, Xueming Yang, Kaijun Yuan   +7 more
doaj   +1 more source

Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions. [PDF]

Chem Sci, 2023
Lam CC, Goodman JM.
europepmc   +1 more source

Pair-Reaction Dynamics in Water: Competition of Memory, Potential Shape, and Inertial Effects. [PDF]

J Phys Chem B, 2022
Brünig FN, Daldrop JO, Netz RR.
europepmc   +1 more source

Full‐scale modeling of chemical experiments

Smart Molecules
Computational chemistry methods are playing an increasingly pivotal role in chemical experiments. From quantum chemistry simulations to finite element simulations, researchers can always find an appropriate simulation method to elucidate the specific ...
Junfeng Wang, Guohui Li
doaj   +1 more source

Reaction Dynamics in the Chrimson Channelrhodopsin: Observation of Product-State Evolution and Slow Diffusive Protein Motions. [PDF]

J Phys Chem Lett, 2023
van Stokkum IHM, Hontani Y, Vierock J, Krause BS, Hegemann P, Kennis JTM.   +5 more
europepmc   +1 more source

Observation of geometric phase effect through backward angular oscillations in the H + HD → H2 + D reaction

Nature Communications
Quantum interference between reaction pathways around a conical intersection (CI) is an ultrasensitive probe of detailed chemical reaction dynamics.
Shihao Li, Jiayu Huang, Zhibing Lu, Yiyang Shu, Wentao Chen, Daofu Yuan, Tao Wang, Bina Fu, Zhaojun Zhang, Xingan Wang, Dong H. Zhang, Xueming Yang   +11 more
doaj   +1 more source

Thermo-/pH-Dual-Sensitive PEG/PAMAM Nanogel: Reaction Dynamics and Plugging Application of CO₂ Channeling. [PDF]

Gels, 2022
Liu X, Wang S, Shi W, Liu H.
europepmc   +1 more source

New Insight into the Gas Phase Reaction Dynamics in Pulsed Laser Deposition of Multi-Elemental Oxides. [PDF]

Materials (Basel), 2022
Yao X, Schneider CW, Wokaun A, Lippert T.   +3 more
europepmc   +1 more source

Reaction dynamics studied via femtosecond X-ray liquidography at X-ray free-electron lasers. [PDF]

Chem Sci, 2022
Choi EH, Lee Y, Heo J, Ihee H.
europepmc   +1 more source