Electronic Spectra of M(CO)6 (M = Cr, Mo, W) Revisited by a Relativistic TDDFT Approach
Rosa, Angela, Baerends, Evert Jan, van Gisbergen, Stan J. A, van Lenthe, Erik, Groeneveld, Jeroen A, Snijders, Jaap G
Published in Journal of the American Chemical Society (10.11.1999)
Published in Journal of the American Chemical Society (10.11.1999)
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Journal Article
Calculation of the Redox Potential of the Protein Azurin and Some Mutants
van den Bosch, Marieke, Swart, Marcel, Snijders†, Jaap G, Berendsen, Herman J.C, Mark, Alan E, Oostenbrink, Chris, van Gunsteren, Wilfred F, Canters, Gerard W
Published in Chembiochem : a European journal of chemical biology (01.04.2005)
Published in Chembiochem : a European journal of chemical biology (01.04.2005)
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Journal Article
Signal transduction in the photoactive yellow protein. I. Photon absorption and the isomerization of the chromophore
Groenhof, Gerrit, Lensink, Marc F., Berendsen, Herman J. C., Snijders, Jaap G., Mark, Alan E.
Published in Proteins, structure, function, and bioinformatics (01.08.2002)
Published in Proteins, structure, function, and bioinformatics (01.08.2002)
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Journal Article
Time-Resolved Resonance Raman and Density Functional Studies on the Ground State and Short-Lived Intermediates of Tetrabromo-p-benzoquinone
Puranik, Mrinalini, Chandrasekhar, Jayaraman, Snijders, Jaap G, Umapathy, Siva
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.11.2001)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.11.2001)
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Journal Article
The Effect of Induced Multipoles on the Fifth-order Raman Response
Jansen, Thomas I.C, Duppen, Koos, Snijders, Jaap G
Published in Bulletin of the Korean Chemical Society (01.08.2003)
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Published in Bulletin of the Korean Chemical Society (01.08.2003)
Journal Article
A charge analysis derived from an atomic multipole expansion
Swart, Marcel, van Duijnen, Piet Th, Snijders, Jaap G.
Published in Journal of computational chemistry (15.01.2001)
Published in Journal of computational chemistry (15.01.2001)
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Journal Article
Theoretical study of the electronic structures and absorption spectra of tetracyanoplatinate(2-) and dithallium tetracyanoplatinate(2-) based on density functional theory including relativistic effects
Ziegler, Tom, Nagle, Jeffrey K, Snijders, Jaap G, Baerends, Evert J
Published in Journal of the American Chemical Society (01.07.1989)
Published in Journal of the American Chemical Society (01.07.1989)
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Journal Article
Theoretical studies of nonlinear optical crystals in metal cluster compounds
Wu, Kechen, Chen, Xihua, Snijders, Jaap G., Sa, Rongjian, Lin, Chensheng, Zhuang, Botao
Published in Journal of crystal growth (01.04.2002)
Published in Journal of crystal growth (01.04.2002)
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Journal Article
The Effect of Induced Multipoles on the Fifth-order Raman Response
Published in Bulletin of the Korean Chemical Society
(20.08.2003)
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Journal Article