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T

Thantip Roongcharoen

consiglio nazionale delle ricerche (cnr)

H指数:11

被引数:396

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Comparison of predictive approaches to the dynamics of activated catalytic processes

对活化催化过程动力学预测方法的比较

Physical Chemistry Chemical Physics

IF2.9

2026-05-010

OA

In-silico optimization of CO₂ adsorption on graphene nanoribbons via heteroatom edge-doping under competitive H2O conditions

通过杂原子边缘掺杂在竞争性H₂O条件下对石墨烯纳米带上的CO₂吸附进行计算机模拟优化

Computational and Theoretical Chemistry

IF2.8

2026-03-230

PRE

Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on Bimetallic Systems

机器学习加速的甲醇催化转化在双金属系统中的共形采样

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-09-010

PRE

In Search of Structure’ Links Across Length Scales: Crossover Among Structural Motifs, Energetics, and Magic Systems in Subnanometer Transition Metals Clusters

《追寻跨长度尺度的结构关联：亚纳米过渡金属簇中结构基序、能量学和魔幻系统的交叉》

Small Structures

IF11.3

2025-08-150

OAAI

Extrapolation Techniques in Database Construction for Machine-Learning Potentials: Achieving Subchemical Accuracy in Sampling Conformal Funnels in Catalytic Processes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-08-010

PRE

Ammonia Evolution in Glycine Pyrolysis via Ionic-Pair Reaction Mechanisms

甘氨酸热解中通过离子对反应机制产生的氨气演化

Journal of the American Chemical Society

IF15.6

2025-07-280

PRE

Tuning covalent bonding of single transition metal atom doped in S vacant MoS2 for catalytic CO2 reduction reaction product selectivity

APPLIED SURFACE SCIENCE

IF6.9

2025-04-010

PRE

Mechanistic Investigation of Methanol Aqueous-Phase Reforming via Water Dissociation over Pt and Pt-Mn Catalysts: A Density Functional Theory Insight

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2025-02-030

PRE

Machine-Learning-Accelerated DFT Conformal Sampling of Catalytic Processes

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-08-301

PRE

The Screening of Homo- and Hetero-Dual Atoms Anchored Graphdiyne for Boosting Electrochemical CO2 Reduction

用于促进电化学CO2还原的均和杂双原子锚定石墨炔的筛选

ADVANCED MATERIALS INTERFACES

IF4.4

2023-01-1513

OAAI

Oxidation and de-alloying of PtMn particle models: a computational investigation

FARADAY DISCUSSIONS

IF3.1

2023-01-017

OA

Theoretical insight on why N-vacancy promotes the selective CO2 reduction to ethanol on NiMn doped graphitic carbon nitride sheets

APPLIED SURFACE SCIENCE

IF6.9

2022-09-0121

PRE

Effect of 3d-transition metals doped in ZnO monolayers on the CO2 electrochemical reduction to valuable products: first principles study

APPLIED SURFACE SCIENCE

IF6.9

2021-06-0125

PREAI

Intrinsic property and catalytic performance of single and double metal atoms incorporated g-C3N4 for O2 activation: A DFT insight

APPLIED SURFACE SCIENCE

IF6.9

2021-03-0127

PREAI

Unprecedented Double Insertion of Cyclohexene Oxide in Ring-Opening Copolymerization with Cyclic Anhydrides Catalyzed by a Tin(II) Alkoxide Complex

IF5.2

2020-10-1418

PREAI

Revealing the effect of N-content in Fe doped graphene on its catalytic performance for direct oxidation of methane to methanol

APPLIED SURFACE SCIENCE

IF6.9

2020-10-0122

PREAI

Near-IR aza-BODIPY-based probe for the selective simultaneous detection of Cu2+ in aqueous buffer solutions and its application in biological samples

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

IF4.7

2020-09-0111

PREAI

High selective catalyst for ethylene epoxidation to ethylene oxide: A DFT investigation

APPLIED SURFACE SCIENCE

IF6.9

2020-05-0111

PREAI

Effect of nitrogen substitution and π-conjugation on photophysical properties and excited state intramolecular proton transfer reactions of methyl salicylate derivatives: Theoretical investigation

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

IF4.7

2020-02-0117

PREAI