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R

Renjith Thomas

st berchmans college

45H指数
255论文数
5.3K被引数
收录论文 125
发表时间
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Electron Affinity of Actinide (IV) Carboxylate Complexes From MN12-L Density-Functional Calculations and Explainable Machine Learning锕系(IV)羧酸盐配合物的电子亲和能：来自MN12-L密度泛函计算和可解释机器学习
errJournal of Computational Chemistry
IF4.8
err2026-08-14
err0
PREAI
errAli A. Khairbek; Mohammad Abd Al-Hakim Badawi; Ralph Puchta; Dalia I. Saleh; Samy F. Mahmoud; Renjith Thomas
err分享
err收藏
Computational studies of the silver-catalyzed olefination of aldehydes using siloxyalkenes醛类银催化烯烃化反应的计算机模拟研究
errReaction Kinetics Mechanisms and Catalysis
IF1.7
err2026-08-01
err0
PREAI
errBadawi, Mohammad Abd Al-Hakim; Rifai, Rawan; Khairbek, Ali A.; Alzahrani, Abdullah Yahya Abdullah; Thomas, Renjith
err分享
err收藏
Interpretable machine-learning prediction of DFT energies per atom and identification of magic numbers in coinage-metal nanoclusters (N ≤ 55) from the open quantum cluster database基于开放量子团簇数据库对贵金属纳米团簇（N ≤ 55）的每原子DFT能量进行可解释机器学习预测及幻数的识别
errphys. chem. chem. phys.
IF0
err2026-05-29
err0
PREAI
errAli A. Khairbek; Maha I. Al-Zaben; Abdullah Yahya Abdullah Alzahrani; Renjith Thomas
err分享
err收藏
A DFT Study on the Interaction Mechanisms and Adsorption-Induced Raman Spectral Changes of Tire-Derived Contaminants 6PPD/6PPD-Q with Au16 Nanoclusters基于密度泛函理论(DFT)对轮胎衍生污染物6PPD/6PPD-Q与Au16纳米团簇相互作用机制及吸附诱导的拉曼光谱变化的研究
errACS Omega
IF4.3
err2026-04-30
err0
errOAAI
errGe Guo; Jiangtao Han; Mingxia Tang; Zijian Wang; Dayong Liu; Renjith Thomas
err分享
err收藏
Exploring the Role of Hydrogen Bonding in Cyclodextrin─Naphthalenediimide Binding Orientation探究氢键在环糊精─萘二酰亚胺结合取向中的作用
errThe Journal of Physical Chemistry B
IF2.9
err2026-04-06
err0
PREAI
errSaranya C. Sasi; Sneha Anna Sunny; Rehin Sulay; Renjith Thomas; Retheesh Krishnan
err分享
err收藏
Investigating the Photovoltaic Potential of 2,6-Bis [4-(N,N-Diphenylamino) Phenyl]-N-(4-Hexylphenyl) Dithieno[3,2-b;2′,3′-d] Pyrrole Through Structural and Morphological Analysis通过结构和形貌分析研究2,6-双[4-(N,N-二苯氨基)苯基]-N-(4-己基苯基)二噻吩并[3,2-b;2′,3′-d]吡咯的光伏潜力
errVietnam Journal of Chemistry
IF1.4
err2026-04-01
err2
PREAI
errRajimon, K. J.; Thomas, Renjith
err分享
err收藏
A Comparative DFT Study of Pd- and Ni-Based Catalysts in the Narasaka–Heck/C(sp3)–H Activation ReactionPd-和Ni基催化剂在Narasaka–Heck/C(sp³)–H活化反应中的比较DFT研究
errJournal of Computational Chemistry
IF4.8
err2026-03-29
err0
PREAI
errRenjith Thomas; Maha I. Al-Zaben; Abdullah Yahya Abdullah Alzahrani; Ralph Puchta; Ali A. Khairbek
err分享
err收藏
Electron Upconversion Enables CP and CS Bond Formation Under Mild Oxidative Conditions: A Theoretical Study电子上转换在温和氧化条件下实现CP和CS键形成：一项理论研究
errJournal of Computational Chemistry
IF4.8
err2026-02-11
err0
PREAI
errMeera Kattoor; Igor V. Alabugin; Renjith Thomas
err分享
err收藏
Investigating the Role of Noncovalent Interactions in Vadadustat's Solubility and Stability With Selected SolventsSunny, S.A.; Rajan, R.F.; Thilakan, S.; Thomas, F.; Pooventhiran, T.; Alzahrani, A.Y.A.; Thomas, R. 研究非共价相互作用在Vadadustat的溶解度和稳定性中的作用（与选定溶剂）。ChemistrySelect 2026, 11, e05824. [Google Scholar] [CrossRef]
errChemistrySelect
IF2
err2026-02-03
err1
PREAI
errSunny, Sneha Anna; Rajan, Reshma F.; Thilakan, Sreekutty; Thomas, Francis; Pooventhiran, T.; Alzahrani, Abdullah Yahya Abdullah; Thomas, Renjith
err分享
err收藏
The Hydration Blueprint of Polylactic Acid: Computational Decoding of Noncovalent Interactions for Predictive Biodegradation
errJournal of Computational Chemistry
IF4.8
err2026-02-02
err0
PREAI
errRehin Sulay; Sneha Anna Sunny; S. Bushramol; A. N. Arshana; Abdullah Yahya Abdullah Alzahrani; Renjith Thomas
err分享
err收藏
Protonation-Induced Planarization and Aromaticity Enhancement in Diazahelicenes: A Route to Stronger Bases
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2026-01-01
err0
PREAI
errMathew, Manjesh; Puchta, Ralph; Thomas, Renjith
err分享
err收藏
Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictions结合数据驱动和量子化学方法评估Minnesota函数式（M06-2X、MN12-SX和MN15）对生成热预测的适用性
errJOURNAL OF MOLECULAR MODELING
IF2.5
err2025-11-25
err0
PREAI
errKhairbek, Ali A.; Moulhim, Ali; Ibraheem, Homam; Alzahrani, Abdullah Yahya Abdullah; Thangaiyan, Pooventhiran; Thomas, Renjith
err分享
err收藏
Multifaceted potency of green synthesized pyridine derived Schiff base: A comprehensive study of antimicrobial, antioxidant, anti-inflammatory, cytotoxic, and Enzymatic properties with density Functional Theory and bioinformatics insights绿色合成的吡啶衍生物希夫碱的多方面潜力：基于密度泛函理论及生物信息学见解的抗菌、抗氧化、抗炎、细胞毒性和酶学特性的综合研究
errBiochemical and Biophysical Research Communications
IF2.2
err2025-11-17
err0
PREAI
errK.J. Rajimon; Abdullah Yahya Abdullah Alzahrani; Pooventhiran Thangaiyan; Renjith Thomas
err分享
err收藏
Dominant non-covalent forces in diphenhydramine-8-chlorotheophylline supramolecular assembly二苯海拉明-8-氯茶碱超分子组装中的主导非共价相互作用
errMODERN PHYSICS LETTERS B
IF2.2
err2025-11-01
err0
PREAI
errSunny, Sneha Anna; Mathew, Tony; Thomas, Jisha Mary; Alzahrani, Abdullah Yahya Abdullah; Thomas, Renjith
err分享
err收藏
Synthesis, Single Crystal X-Ray Diffraction Analysis, Hirshfeld Surface, and Molecular Docking Study of 7-Methyl-2-phenylimidazo[1,2-a]Pyridine-3-carbaldehyde
errCHEMISTRYSELECT
IF2
err2025-10-31
err0
PREAI
errDaoudi, Walid; Karrouchi, Khalid; Alqarni, Mohammed; Naguib, Ibrahim A.; Tuzun, Burak; Thomas, Renjith; Natarajan, Elangovan; Arshad, Suhana; Oussaid, Adyl; Aatiaoui, Abdelmalik El
err分享
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Hybrid TiO2–polymer composites for corrosion protection: a combined gravimetric, DFT, and molecular docking approach用于腐蚀防护的混合TiO2–聚合物复合材料：一种结合重量法、DFT和分子对接的方法
errJournal of Molecular Liquids
IF5.2
err2025-10-22
err0
PREAI
errSheerin Masroor; Saddam Hussain; Ajay Kumar; Urfi Ishrat; Sneha Anna Sunny; Renjith Thomas; Marziya Rizvi; Mohd Mustaqeem; Mohammad Ehtisham Khan
err分享
err收藏
Halogen-Substituted Binuclear Copper Complexes as Efficient Catalysts for Azide–Alkyne Cycloaddition Reactions卤素取代的双核铜配合物作为叠氮-炔烃环加成反应的高效催化剂
errApplied Organometallic Chemistry
IF2.4
err2025-10-16
err0
PREAI
errRenjith Thomas; Abdullah Yahya Abdullah Alzahrani; Ali A. Khairbek
err分享
err收藏
Investigating the Intrinsic Electronic, Structural Properties and Diverse Bioactivities of Mechanochemically Crafted Halogenated Pyridine Derivative: A Combined Experimental and Computational Study研究机械化学制备的卤代吡啶衍生物的固有电子、结构性质及多样性生物活性：一项结合实验与计算的研究
errBiochemical and Biophysical Research Communications
IF2.2
err2025-09-06
err0
PREAI
errK.J. Rajimon; B.K. Sarojini; Renjith Thomas
err分享
err收藏
Design Strategy and Synthesis of Novel Pyrazole-Linked 1,3,4-Oxadiazole Hybrids as Potent Anti-Tubercular Agents设计策略与新型吡唑连接的1,3,4-噁二唑杂化物的合成及其作为强效抗结核剂的应用
errPOLYCYCLIC AROMATIC COMPOUNDS
IF2.6
err2025-09-01
err0
PREAI
errKeerthi, Saritha; Kerru, Nagaraju; Ganpat, Gadhave Omkar; Thomas, Renjith; Maddila, Suresh; Venigalla, Lalu; Mersal, Gaber A. M.; Ibrahim, Mohamed M.
err分享
err收藏
Unraveling the Weak Yet Vital: A High-Level DFT Exploration of Non-Covalent Interactions in Hydrated Polyethylene Glycol and Methoxy Polyethylene Glycol Systems揭示弱而关键的相互作用：水分散体系中聚乙二醇和甲氧基聚乙二醇体系非共价相互作用的DFT高级水平探索
errADVANCED THEORY AND SIMULATIONS
IF2.9
err2025-09-01
err0
errOAAI
errSulay, Rehin; Sunny, Sneha Anna; Alzahrani, Abdullah Yahya Abdullah; Thomas, Renjith
err分享
err收藏

研究方向

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合作学者
合作期刊
A
Abdullah G. Al‐Sehemi
H 指数: 69 · 论文数: 1.1K
I
Igor V. Alabugin
H 指数: 62 · 论文数: 448
I
Ismail Warad
H 指数: 59 · 论文数: 690
S
S. Muthu
H 指数: 57 · 论文数: 618
A
Ahmad Irfan
H 指数: 55 · 论文数: 555
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