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C

Christian Van Alsenoy

University of Antwerp

54H指数
496论文数
1.3W被引数
收录论文 19
发表时间
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The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2023-10-17
err0
errOAAI
errCunha, Ana V.; Havenith, Remco W. A.; Van Alsenoy, Christian; Blockhuys, Frank
err分享
err收藏
Investigating the Linear Response Function under Approximations Following the Coupled-Perturbed Approach for Atoms and Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-18
err8
errOAAI
errWang, Bin; Geerlings, Paul; Van Alsenoy, Christian; Heider-Zadeh, Farnaz; Ayers, Paul W.; De Proft, Frank
err分享
err收藏
Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2022-09-01
err8
errOAAI
errRanjith, P. K.; Ignatious, Angel; Panicker, C. Yohannan; Sureshkumar, B.; Armakovic, Stevan; Armakovic, Sanja J.; Van Alsenoy, C.; Anto, P. L.
err分享
err收藏
An Overview of Self-Consistent Field Calculations Within Finite Basis Sets
errMOLECULES
IF4.6
err2020-03-08
err50
errOAAI
errLehtola, Susi; Blockhuys, Frank; Van Alsenoy, Christian
err分享
err收藏
RETRACTED: Synthesis, spectral characterisation, quantum mechanical analyses and light harvesting properties of two azoimidazole analogues (Retracted Article)
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2019-12-01
err1
PREAI
errSmitha, M.; Mary, Y. Sheena; Pradhan, Kiran; Brahman, Dhiraj; Mary, Y. Shyma; Thomas, Renjith; Pavithran, Rani; Van Alsenoy, C.
err分享
err收藏
Two neoteric pyrazole compounds as potential anti-cancer agents: Synthesis, electronic structure, physico-chemical properties and docking analysis
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2019-04-01
err87
PREAI
errThomas, Renjith; Mary, Y. Sheena; Resmi, K. S.; Narayana, B.; Sarojini, B. K.; Vijayakumar, G.; Van Alsenoy, C.
err分享
err收藏
Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2019-04-01
err61
PREAI
errThomas, Renjith; Mary, Y. Sheena; Resmi, K. S.; Narayana, B.; Sarojini, S. B. K.; Armakovic, Stevan; Armakovic, Sanja J.; Vijayakumar, G.; Van Alsenoy, C.; Mohan, B. J.
err分享
err收藏
Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2018-09-01
err26
errOAAI
errSureshkumar, B.; Mary, Y. Sheena; Resmi, K. S.; Suma, S.; Armakovic, Stevan; Armakovic, Sanja J.; Van Alsenoy, C.; Narayana, B.; Sobhana, D.
err分享
err收藏
Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2018-03-01
err34
errOAAI
errSureshkumar, B.; Mary, Y. Sheena; Resmi, K. S.; Panicker, C. Yohannan; Armakovic, Stevan; Armakovic, Sanja J.; Van Alsenoy, C.; Narayana, B.; Suma, S.
err分享
err收藏
Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-11-01
err15
errOAAI
errDevi, A. Sarau; Aswathy, V. V.; Mary, Y. Sheena; Panicker, C. Yohannan; Armakovic, Stevan; Armakovic, Sanja J.; Ravindran, Reena; Van Alsenoy, C.
err分享
err收藏
Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-08-01
err9
errOAAI
errMary, Y. Sheena; Al-Omary, Fatmah A. M.; Mostafa, Gamal A. E.; El-Emam, Ali A.; Manjula, P. S.; Sarojini, B. K.; Narayana, B.; Armakovic, Stevan; Armakovic, Sanja J.; Van Alsenoy, C.
err分享
err收藏
Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-one
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-06-01
err11
errOAAI
errArshad, Suhana; Pillai, Renjith Raveendran; Zainuri, Dian Alwani; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Armakovic, Stevan; Armakovic, Sanja J.; Renjith, Rishikesh; Panicker, C. Yohannan; Van Alsenoy, C.
err分享
err收藏
FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculationsFt-ir和ft-raman表征和通过分子动力学模拟和DFT计算研究N-(3-碘-4-甲基苯基) pyrazine-2-carboxamide的反应性质
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-05-01
err22
PREAI
errRanjith, P. K.; Al-Abdullah, Ebtehal S.; Al-Omary, Fatmah A. M.; El-Emam, Ali A.; Anto, P. L.; Sheena, Mary Y.; Armakovic, Stevan; Armakovic, Sanja J.; Zitko, Jan; Dolezal, Martin; Van Alsenoy, C.
err分享
err收藏
New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-05-01
err15
PREAI
errRanjith, P. K.; Mary, Y. Sheena; Panicker, C. Yohannan; Anto, P. L.; Armakovic, Stevan; Armakovic, Sanja J.; Musiol, Robert; Jampilek, Josef; Van Alsenoy, C.
err分享
err收藏
Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxypheny1)-4,5-dimethyl-imidazole 3-oxide
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-04-01
err40
errOAAI
errBenzon, K. B.; Mary, Y. Sheena; Varghese, Hema Tresa; Panicker, C. Yohannan; Armakovic, Stevan; Armakovic, Sanja J.; Pradhan, Kiran; Nanda, Ashis Kumar; Van Alsenoy, C.
err分享
err收藏
Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichloropheny1)-3[3-(trifluoromethyl)phenyl] thiourea (ANF-6): Combined experimental and computational study
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-04-01
err47
errOAAI
errAswathy, V. V.; Mary, Y. Sheena; Jojo, P. J.; Panicker, C. Yohannan; Bielenica, Anna; Armakovic, Stevan; Armakovic, Sanja J.; Brzozka, Paulina; Krukowski, Sylwester; Van Alsenoy, C.
err分享
err收藏
Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-03-01
err45
PREAI
errBeegum, Shargina; Mary, Y. Sheena; Varghese, Herria Tresa; Panicker, C. Yohannan; Armakovic, Stevan; Armakovic, Sanja J.; Zitko, Jan; Dolezal, Martin; Van Alsenoy, C.
err分享
err收藏
Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2017-02-01
err14
errOAAI
errMenon, Vidya V.; Foto, Egemen; Mary, Y. Sheena; Karatas, Esin; Panicker, C. Yohannan; Yalcin, Gozde; Armakovic, Stevan; Armakovic, Sanja J.; Van Alsenoy, C.; Yildiz, Ilkay
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E2(CN)2 (E = S, Se) and related compounds
errINORGANIC CHEMISTRY
IF4.7
err2005-12-21
err44
PREAI
errBurchell, CJ; Kilian, P; Slawin, AMZ; Woollins, JD; Tersago, K; Van Alsenoy, C; Blockhuys, F
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研究方向

暂无研究方向
合作学者
合作期刊
A
Alexandra M. Z. Slawin
H 指数: 106 · 论文数: 5.3K
P
Paul W. Ayers
H 指数: 76 · 论文数: 518
P
Paul Geerlings
H 指数: 68 · 论文数: 674
F
Frank De Proft
H 指数: 67 · 论文数: 725
Y
Y. Sheena Mary
H 指数: 55 · 论文数: 453
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