Your search returned 26 results.

Results
	1.	Structures and spectral signatures of protonated water networks in bacteriorhodopsin. [electronic resource] by Mathias, Gerald Marx, Dominik Producer: 20070606 In: Proceedings of the National Academy of Sciences of the United States of America vol. 104 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Angular resolution and range of dipole-dipole correlations in water. [electronic resource] by Mathias, Gerald Tavan, Paul Producer: 20060808 In: The Journal of chemical physics vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Continuous Tempering Molecular Dynamics: A Deterministic Approach to Simulated Tempering. [electronic resource] by Lenner, Nicolas Mathias, Gerald Producer: 20161026 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Generalized Normal Coordinates for the Vibrational Analysis of Molecular Dynamics Simulations. [electronic resource] by Mathias, Gerald Baer, Marcel D Producer: 20151130 In: Journal of chemical theory and computation vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Theoretical messenger spectroscopy of microsolvated hydronium and Zundel cations. [electronic resource] by Baer, Marcel Marx, Dominik Mathias, Gerald Producer: 20110120 In: Angewandte Chemie (International ed. in English) vol. 49 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Mechanistic insights into the hydrolysis of a nucleoside triphosphate model in neutral and acidic solution. [electronic resource] by Glaves, Rachel Mathias, Gerald Marx, Dominik Producer: 20120912 In: Journal of the American Chemical Society vol. 134 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamics. [electronic resource] by Bauer, Sebastian Tavan, Paul Mathias, Gerald Producer: 20141121 In: The Journal of chemical physics vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansions. [electronic resource] by Lorenzen, Konstantin Mathias, Gerald Tavan, Paul Producer: 20160331 In: The Journal of chemical physics vol. 143 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Assigning predissociation infrared spectra of microsolvated hydronium cations H3O(+)⋅(H2)n (n=0, 1, 2, 3) by ab initio molecular dynamics. [electronic resource] by Baer, Marcel Marx, Dominik Mathias, Gerald Producer: 20111027 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description. [electronic resource] by Bauer, Sebastian Mathias, Gerald Tavan, Paul Producer: 20141121 In: The Journal of chemical physics vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs. [electronic resource] by Zachmann, Martin Mathias, Gerald Antes, Iris Producer: 20160223 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Potential proton-release channels in bacteriorhodopsin. [electronic resource] by Chaumont, Alain Baer, Marcel Mathias, Gerald Marx, Dominik Producer: 20090122 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Simulated Solute Tempering in Fully Polarizable Hybrid QM/MM Molecular Dynamics Simulations. [electronic resource] by Schwörer, Magnus Wichmann, Christoph Gawehn, Erik Mathias, Gerald Producer: 20161114 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Density functional theory combined with molecular mechanics: the infrared spectra of flavin in solution. [electronic resource] by Rieff, Benjamin Mathias, Gerald Bauer, Sebastian Tavan, Paul Producer: 20110915 In: Photochemistry and photobiology vol. 87 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	IR spectra of flavins in solution: DFT/MM description of redox effects. [electronic resource] by Rieff, Benjamin Bauer, Sebastian Mathias, Gerald Tavan, Paul Producer: 20110617 In: The journal of physical chemistry. B vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations. [electronic resource] by Schwörer, Magnus Lorenzen, Konstantin Mathias, Gerald Tavan, Paul Producer: 20150810 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	DFT/MM description of flavin IR spectra in BLUF domains. [electronic resource] by Rieff, Benjamin Bauer, Sebastian Mathias, Gerald Tavan, Paul Producer: 20120207 In: The journal of physical chemistry. B vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Vibrational spectra of phosphate ions in aqueous solution probed by first-principles molecular dynamics. [electronic resource] by VandeVondele, Joost Tröster, Philipp Tavan, Paul Mathias, Gerald Producer: 20120628 In: The journal of physical chemistry. A vol. 116 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Simulated Solute Tempering. [electronic resource] by Denschlag, Robert Lingenheil, Martin Tavan, Paul Mathias, Gerald Producer: 20151204 In: Journal of chemical theory and computation vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Deactivation of rhodopsin in the transition from the signaling state meta II to meta III involves a thermal isomerization of the retinal chromophore C[double bond]D. [electronic resource] by Vogel, Reiner Siebert, Friedrich Mathias, Gerald Tavan, Paul Fan, Guibao Sheves, Mordechai Producer: 20031001 In: Biochemistry vol. 42 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

Refine your search

Availability

Authors

Topics

Languages

Your search returned 26 results.