Your search returned 33 results.

Results
	1.	Rationalising the vibrational spectra of biomolecules using atomistic simulations. [electronic resource] by Benoit, David M Producer: 20090407 In: Frontiers in bioscience (Landmark edition) vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Fast vibrational self-consistent field calculations through a reduced mode-mode coupling scheme. [electronic resource] by Benoit, David M Producer: 20060502 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.	Vibrational Signature of a Single Water Molecule Adsorbed on Pt(111): Toward a Reliable Anharmonic Description. [electronic resource] by Benoit, David M Producer: 20160302 In: The journal of physical chemistry. A vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Fast vibrational calculation of anharmonic OH-stretch frequencies for two low-energy noradrenaline conformers. [electronic resource] by Benoit, David M Producer: 20090213 In: The Journal of chemical physics vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Efficient correlation-corrected vibrational self-consistent field computation of OH-stretch frequencies using a low-scaling algorithm. [electronic resource] by Benoit, David M Producer: 20070306 In: The Journal of chemical physics vol. 125 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Assessing spin-component-scaled second-order Møller-plesset theory using anharmonic frequencies. [electronic resource] by Domin, Dominik Benoit, David M Producer: 20120328 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)
	7.	Calculation of vibrational frequencies through a variational reduced-coupling approach. [electronic resource] by Scribano, Yohann Benoit, David M Producer: 20080205 In: The Journal of chemical physics vol. 127 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Fast degenerate correlation-corrected vibrational self-consistent field calculations of the vibrational spectrum of 4-mercaptopyridine. [electronic resource] by Respondek, Inga Benoit, David M Producer: 20091009 In: The Journal of chemical physics vol. 131 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Vibrational anharmonicity of small gold and silver clusters using the VSCF method. [electronic resource] by Mancera, Luis A Benoit, David M Producer: 20160513 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	A fragment method for systematic improvement of anharmonic adsorbate vibrational frequencies: acetylene on Cu(001). [electronic resource] by Chulkov, Sergey K Benoit, David M Producer: 20140711 In: The Journal of chemical physics vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	The nature and role of the gold-krypton interactions in small neutral gold clusters. [electronic resource] by Mancera, Luis A Benoit, David M Producer: 20150515 In: The journal of physical chemistry. A vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Towards an understanding of the vibrational spectrum of the neutral Au7 cluster. [electronic resource] by Mancera, Luis A Benoit, David M Producer: 20130710 In: Physical chemistry chemical physics : PCCP vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate? [electronic resource] by Benoit, David M Lauvergnat, David Scribano, Yohann Publication details: Faraday discussions 12 2018 In: Faraday discussions vol. 212 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules. [electronic resource] by Roggatz, Christina C Lorch, Mark Benoit, David M Producer: 20180614 In: Journal of chemical theory and computation vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis. [electronic resource] by Scribano, Yohann Lauvergnat, David M Benoit, David M Producer: 20110111 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study. [electronic resource] by Künzel, Daniela Markert, Thomas Gross, Axel Benoit, David M Producer: 20100809 In: Physical chemistry chemical physics : PCCP vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	H [electronic resource] by Lauvergnat, David Felker, Peter Scribano, Yohann Benoit, David M Bačić, Zlatko Publication details: The Journal of chemical physics Apr 2019 In: The Journal of chemical physics vol. 150 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Ocean acidification affects marine chemical communication by changing structure and function of peptide signalling molecules. [electronic resource] by Roggatz, Christina C Lorch, Mark Hardege, Jörg D Benoit, David M Producer: 20170802 In: Global change biology vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interaction. [electronic resource] by Prakash, Muthuramalingam Mathivon, Kévin Benoit, David M Chambaud, Gilberte Hochlaf, Majdi Producer: 20150420 In: Physical chemistry chemical physics : PCCP vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Intramolecular stretching vibrational states and frequency shifts of (H [electronic resource] by Felker, Peter M Lauvergnat, David Scribano, Yohann Benoit, David M Bačić, Zlatko Producer: 20191004 In: The Journal of chemical physics vol. 151 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 33 results.