Finding reaction pathways of type A+ B→ X: toward systematic prediction of reaction mechanisms

S Maeda, K Morokuma - Journal of Chemical Theory and …, 2011 - ACS Publications
In these five decades, many useful tools have been developed for exploring quantum
chemical potential energy surfaces. The success in theoretical studies of chemical reaction …

[图书][B] Structure and properties of atomic nanoclusters

JA Alonso - 2012 - books.google.com
Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to
the small size of these pieces of matter, the properties of atomic clusters in general are …

On the formation of polyacetylenes and cyanopolyacetylenes in Titan's atmosphere and their role in astrobiology

RI Kaiser, AM Mebel - Chemical Society Reviews, 2012 - pubs.rsc.org
This tutorial review compiles recent experimental and theoretical studies on the formation of
polyacetylenes (H (CC) nH) and cyanopolyacetylenes (H (CC) nCN) together with their …

Untangling the chemical evolution of Titan's atmosphere and surface–from homogeneous to heterogeneous chemistry

RI Kaiser, P Maksyutenko, C Ennis, F Zhang… - Faraday …, 2010 - pubs.rsc.org
In this article, we first explored the chemical dynamics of simple diatomic radicals (dicarbon,
methylidyne) utilizing the crossed molecular beams method. This versatile experimental …

[HTML][HTML] Growth of carbon chains in IRC+ 10216 mapped with ALMA

M Agúndez, J Cernicharo, G Quintana-Lacaci… - Astronomy & …, 2017 - aanda.org
Linear carbon chains are common in various types of astronomical molecular sources.
Possible formation mechanisms involve both bottom-up and top-down routes. We have …

Broadband depolarized light scattering study of diluted protein aqueous solutions

S Perticaroli, L Comez, M Paolantoni… - The Journal of …, 2010 - ACS Publications
A broadband depolarized light scattering (DLS) study is performed on diluted lysozyme
aqueous solutions as a function of temperature and concentration. The dynamical …

A comprehensive study of the gas-phase formation network of HC5N: theory, experiments, observations and models

L Giani, E Bianchi, M Fournier, SCS Ely… - Monthly Notices of …, 2025 - academic.oup.com
Cyanopolyynes are among the largest and most commonly observed interstellar Complex
Organic Molecules in star-forming regions. They are believed to form primarily in the gas …

Pentane, Hexane, Cyclopentane, Cyclohexane, 1-Hexene, 1-Pentene, cis-2-Pentene, Cyclohexene, and Cyclopentene at Vapor/α-Alumina and Liquid/α-Alumina …

AM Buchbinder, E Weitz, FM Geiger - The Journal of Physical …, 2010 - ACS Publications
The molecular orientation and structure of adsorbates at oxide interfaces is driven by
surface− molecule and molecule− molecule interactions and is useful for predicting reactivity …

A chemical dynamics, kinetics, and theoretical study on the reaction of the cyano radical (CN; X 2 Σ+) with phenylacetylene (C 6 H 5 CCH; X 1 A 1)

CJ Bennett, SB Morales, SD Le Picard… - Physical Chemistry …, 2010 - pubs.rsc.org
The chemical reaction dynamics to form o-, m-, and p-cyanophenylacetylene via the neutral–
neutral reaction of ground state cyano radicals with phenylacetylene and D1 …

Crossed-beam universal-detection reactive scattering of radical beams characterized by laser-induced-fluorescence: the case of C2 and CN

F Leonori, KM Hickson, SD Le Picard, X Wang… - Molecular …, 2010 - Taylor & Francis
Continuous supersonic beams of dicarbon (C2) and cyano (CN) radicals have been
generated by a high-pressure radio-frequency discharge beam source starting from dilute …