Local control of multidimensional dynamics
Literature Information
C. Meier
The control of chemical reactions has been a target for researchers since the development of lasers which operated on a timescale fast enough to follow nuclear motion. Since then a number of schemes have been developed, each proving successful in a selection of systems. In this paper we present results obtained following the implementation of local control theory together with the multi-configuration time dependent Hartree quantum dynamics algorithm, aiming to efficiently design control pulses for polyatomic systems. Control of multidimensional models of cyclobutadiene and pyrazine are presented and discussed. These results represent a starting point for further studies, showing the distinct advantages of using this approach for controlling chemical reactions.
Related Literature
Sulfur stereogenic centers in transition-metal-catalyzed asymmetric C–H functionalization: generation and utilization
Wentan Liu, Jie Ke, Chuan He
DOI: 10.1039/D1SC02614C
Ab initio investigation of the affinity of novel bipyrazolate-based MOFs towards H2 and CO2
J. Baima, R. Macchieraldo, C. Pettinari, S. Casassa
DOI: 10.1039/C4CE01989J
Structure-dependent iron-based metal–organic frameworks for selective CO2-to-CH4 photocatalytic reduction
Xiao-Yao Dao, Jin-Han Guo, Xiao-Yu Zhang, Shi-Qing Wang, Xiao-Mei Cheng, Wei-Yin Sun
DOI: 10.1039/D0TA10278D
Quasi-homogeneous catalytic conversion of CO2 into quinazolinones inside a metal–organic framework microreactor
Zhenzhen Zhou, Jian-Gong Ma, Jianbo Gao
DOI: 10.1039/D1GC01677F
Gated molecular baskets
Keith Hermann, Yian Ruan, Alex M. Hardin, Christopher M. Hadad, Jovica D. Badjić
DOI: 10.1039/C4CS00140K
Effects of a side chain sequence on surface segregation of regioregular poly(3-alkylthiophene) and interfacial modification of bilayer organic photovoltaic devices
Yanfang Geng, Qingshuo Wei, Kazuhito Hashimoto
DOI: 10.1039/C3TA12297B
Facile growth of transition metal hydroxide nanosheets on porous nickel foam for efficient electrooxidation of benzyl alcohol
Xiao-Yuan Wu, Sa-Sa Wang, Weiming Wu
DOI: 10.1039/D1GC02218K
Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution
Carlos G. Morales-Guio, Lucas-Alexandre Stern, Xile Hu
DOI: 10.1039/C3CS60468C
Construction of mesoporous Cu-doped Co9S8 rectangular nanotube arrays for high energy density all-solid-state asymmetric supercapacitors
Wen Lu, Ze Yuan, Chunyang Xu, Jiqiang Ning, Yijun Zhong, Ziyang Zhang, Yong Hu
DOI: 10.1039/C8TA10998B
You might also like
What are the main uses of (5-Sulfamoyl-3-pyridinyl)boronic acid (CAS: 951233-61-7)?
(5-Sulfamoyl-3-pyridinyl)boronic acid is primarily used in chemical synthesis, p...
How is Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate (CAS: 1942858-50-5) typically synthesized?
Benzyl 2-methyl-2-(methylsulfonyl)-4-pentenoate is typically synthesized via est...
What precautions should be taken when handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0)?
When handling 8-Fluoroquinolin-6-ol (CAS: 209353-22-0), it is important to use p...
What are the physical and chemical properties of 1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2)?
1,3-Dibromo-5-(2-methyl-2-propanyl)benzene (CAS: 129316-09-2) is a crystalline c...
What industries use Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate (CAS: 174726-87-5)?
Ethyl 7-chloro-4-oxo-1-(1,3-thiazol-2-yl)-1,4-dihydro-1,8-naphthyridine-3-carbox...
What precautions should be taken when handling Delta-7-Avenasterol (CAS: 23290-26-8)?
When handling Delta-7-Avenasterol (CAS: 23290-26-8), it is important to wear app...
What precautions should be taken when handling N-({(5R)-3-[3-Fluoro-4-(4-morpholinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide (CAS: 872992-20-6)?
Proper handling involves the use of personal protective equipment such as gloves...
What precautions should be taken when handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylate (CAS: 79099-00-6)?
When handling 2-Methyl-2-proanyl 4-[(2-aminophenyl)amino]-1-piperidinecarboxylat...
What is N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7)?
N-Methyl-4-chlorobenzylamine hydrochloride (CAS: 65542-24-7) is a organic compou...
Is [2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) safe?
[2-(Dodecyloxy)ethoxy]acetic acid (CAS: 27306-90-7) is generally considered safe...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














