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C

Carlo Cavallotti

Politecnico di Milano

H指数:47

被引数:8,590

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Direct α-C(sp³)─H Alkylation and Arylation of Ethers Enabled by Carbon Nitride/Nickel Metallaphotoredox Catalysis

通过碳氮化物/镍金属光氧化还原催化实现醚的直接α-C(sp³)─H烷基化和芳基化

IF6.6

2026-10-280

OAAI

Site Density Governs Switching Reactivity Regimes During Aerobic C─H Oxidation in Mn Single‐Atom Photocatalysts

位点密度调控Mn单原子光催化剂中 aerobic C─H 氧化反应的转换活性机制

Angewandte Chemie-International Edition

IF16.9

2026-09-240

OA

Kinetic Study on the Soot Formation Mechanism in a Methane Microwave Plasma

甲烷微波等离子体中烟尘形成机制的动力学研究

Proceedings of the Combustion Institute

IF5.2

2026-09-220

OAAI

Selectivity control of CH4 reforming in nanosecond pulsed plasma through tailored pulse sequencing

通过定制脉冲序列控制纳秒脉冲等离子体中CH4重整的选择性

IF7.5

2026-05-150

OAAI

Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next

ACS ENGINEERING AU

IF5.1

2026-01-010

PRE

A Theoretical Investigation of OH• + H2CCNH Reactivity: Interstellar Insights into Glycolonitrile Formation

OH• + H2CCNH反应性的理论研究：对乙醛胺形成的天文生物学见解

The Astrophysical Journal

IF0

2025-10-310

OA

A theoretical study of 1-propanol H-abstractions and successive reactivity

1-丙醇H抽提及其后续反应的理论研究

Proceedings of the Combustion Institute

IF5.2

2025-10-310

PRE

NN-VRCTST: Neural Network Potentials Meet Variable Reaction Coordinate Transition State Theory for the Rate Constant Determination of Barrierless Reactions

NN-VRCTST：神经网络势与可变反应坐标过渡态理论相结合，用于无势垒反应速率常数的确定

Journal of Chemical Theory and Computation

IF5.5

2025-10-090

OAAI

Investigation of methyl-vinyl ketone; 2- and 3-butenal decomposition pathways through semi-automated variable reaction coordinate transition state theory

甲基乙烯基酮；2-和3-丁烯醛分解路径的半自动化变反应坐标过渡态理论研究

Phys. Chem. Chem. Phys.

IF2.9

2025-10-010

OAAI

Recombination of NH2 with alkyl radicals: VRC-TST rate constants from neural network potentials

NH2与烷基自由基的复合：基于神经网络势的VRC-TST速率常数

Proceedings of the Combustion Institute

IF5.2

2025-09-250

OAAI

Crossed-Beams and Theoretical Studies of the Multichannel Reaction O(3P)+1,2-Butadiene (Methylallene): Product Branching Fractions and Role of Intersystem Crossing

交叉束和理论研究多通道反应O(3P)+1,2-丁二烯（甲基烯丙）：产物分支比及系间窜越的作用

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2025-08-010

PRE

Relevance of the P+O2 Reaction for PO Formation in Astrochemical Environments: Electronic Structure Calculations and Kinetic Simulations

ASTROPHYSICAL JOURNAL

IF5.4

2024-03-072

OA

Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen

FARADAY DISCUSSIONS

IF3.1

2024-01-013

OA

Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH 3, OH and 3 O 2: A systematic theoretical investigation

COMBUSTION AND FLAME

IF6.2

2023-11-017

PRE

Toward an Accurate Black-Box Tool for the Kinetics of Gas-Phase Reactions Involving Barrier-less Elementary Steps

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-10-263

OAAI

Kinetics of CN (v=1) reactions with butadiene isomers at low temperature by cw-cavity ring-down in a pulsed Laval flow with theoretical modelling of rates and entrance channel branching

FARADAY DISCUSSIONS

IF3.1

2023-01-012

PRE

Modeling soot particles as stable radicals: a chemical kinetic study on formation and oxidation. Part II. Soot oxidation in flow reactors and laminar flames

COMBUSTION AND FLAME

IF6.2

2022-09-0110

PRE

Modeling soot particles as stable radicals: a chemical kinetic study on formation and oxidation. Part I. Soot formation in ethylene laminar premixed and counterflow diffusion flames

COMBUSTION AND FLAME

IF6.2

2022-09-0126

PRE

The reaction step: general discussion

FARADAY DISCUSSIONS

IF3.1

2022-01-012

PRE

Burke, Michael P.; Casavecchia, Piergiorgio; Cavallotti, Carlo; Clary, David C.; Doner, Anna; Green, William H.; Dana, Alon Grinberg; Guo, Hua; Heathcote, David; Hochlaf, Majdi; Klippenstein, Stephen J.; Kuwata, Keith T.; Lawrence, Joseph E.; Lourderaj, Upakarasamy; Mebel, Alexander M.; Milesevic, Dennis; Mullin, Amy S.; Thanh Lam Nguyen; Olzmann, Matthias; Orr-Ewing, Andrew J.; Osborn, David L.; Pazdera, Tobias M.; Robertson, Patrick A.; Robinson, Matthew S.; Rotavera, Brandon; Seakins, Paul W.; Shannon, Robin J.; Shiels, Oisin J.; Suits, Arthur G.; Trevitt, Adam J.; Troe, Juergen; Vallance, Claire; Welz, Oliver; Zhang, Feng; Zador, Judit

Crossed-beam and theoretical studies of multichannel nonadiabatic reactions: branching fractions and role of intersystem crossing for O(3P)+1,3-butadiene

FARADAY DISCUSSIONS

IF3.1

2022-01-0112

OA