C. Alsenoy

发表

Molecular structure, chemical reactivity and molecular docking studies of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-[3-(4-benzylpiperazine-1-yl)propyl]-4-azatricyclo[5.2.1.02,6] dec-8-ene-3, 5-dione

B. Sureshkumar, Stevan Armaković, C. Y. Panicker, 2022 .

Vibrational spectroscopic and computational study of 1,7,8,9-Tetrachloro-4-(4-bromo-butyl)-10,10-dimethoxy-4-aza-tricyclo[5.2.1.0(2,6)] dec-8-ene-3,5-dione.

Y. Mary, C. Alsenoy, C. Y. Panicker, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}1H-1,2,4-triazole-5(4H)-thione.

S. Srivastava, A. Al‐Saadi, C. Van Alsenoy, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulations

Y. Mary, B. Sureshkumar, Stevan Armaković, 2018, Journal of Molecular Structure.

Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures

Y. Mary, C. Alsenoy, I. Yildiz, 2017 .

Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

K. S. Resmi, Y. Mary, Renjith Thomas, 2018 .

Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations

Y. Mary, K. Jalaja, C. Alsenoy, 2017 .

Infrared spectrum, NBO, HOMO-LUMO, MEP and molecular docking studies (2E)-3-(3-nitrophenyl)-1-[4-piperidin-1-yl]prop-2-en-1-one.

H. Fun, C. Van Alsenoy, P. Nayak, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Infrared spectrum, structural and optical properties and molecular docking study of 3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde.

Y. Mary, A. Al‐Saadi, H. Fun, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structure determination of propanal by joint analysis of gas electron diffraction, microwave and infrared spectroscopy, including constraints and a valence force field from geometry relaxed ab initio calculations

H. Geise, C. V. Alsenoy, L. D. V. Enden, 1984 .

FT-IR, NBO, HOMO-LUMO, MEP analysis and molecular docking study of Methyl N-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino}[(methoxycarbonyl) imino]methyl)carbamate.

H. Fun, C. Van Alsenoy, C. Y. Panicker, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Two novel imidazole derivatives – Combined experimental and computational study

K. S. Resmi, Y. Mary, A. Nanda, 2018, Journal of Molecular Structure.

Spectral investigations, DFT computations and molecular docking studies of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

K. S. Resmi, Y. Mary, C. Alsenoy, 2015 .

Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole

Y. Mary, R. Ravindran, C. Alsenoy, 2017 .

Ab initio studies of structural features not easily amenable to experiment. 42. Molecular geometries and conformational analysis of methylbutanoate

L. Schäfer, C. Van Alsenoy, V. Klimkowski, 1985 .