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	1.	Natural bond orbital/natural J-coupling study of vicinal couplings. [electronic resource] by García de la Vega, José M San Fabián, Jesús Producer: 20150330 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Radiobiological parameters for breast cancer: a Monte Carlo analysis of START trial published results. [electronic resource] by Guirado, Damián de la Vega, Jose M Guerrero, Rafael Lallena, Antonio M Producer: 20181029 In: The British journal of radiology vol. 91 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Electron density analysis of 1-butyl-3-methylimidazolium chloride ionic liquid. [electronic resource] by del Olmo, Lourdes Morera-Boado, Cercis López, Rafael García de la Vega, José M Producer: 20150331 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Potential energy surfaces and Jahn-Teller effect on CH4...NO complexes. [electronic resource] by Crespo-Otero, Rachel Suardiaz, Reynier Montero, Luis Alberto de la Vega, José M García Producer: 20071128 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)
	5.	Alkyl substituent effect on density, viscosity and chemical behavior of 1-alkyl-3-methylimidazolium chloride. [electronic resource] by Olmo, Lourdes del Lage-Estebanez, Isabel López, Rafael García de la Vega, José M Producer: 20151124 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Understanding the Structure and Properties of Cholinium Amino Acid Based Ionic Liquids. [electronic resource] by Del Olmo, Lourdes Lage-Estebanez, Isabel López, Rafael García de la Vega, José M Producer: 20180411 In: The journal of physical chemistry. B vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Basis set superposition error in MP2 and density-functional theory: a case of methane-nitric oxide association. [electronic resource] by Crespo-Otero, Rachel Montero, Luis Alberto Stohrer, Wolf-Dieter García de la Vega, José M Producer: 20070724 In: The Journal of chemical physics vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Obtaining the intrinsic electron spectrum of linear accelerators using the relation between the current of the bending magnet and the absorbed dose in water. [electronic resource] by de la Vega, Jose M Guirado, Damián Vilches, Manuel Perdices, Jose I Lallena, Antonio M Producer: 20080605 In: Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology vol. 86 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Influence of Density Functionals and Basis Sets on One-Bond Carbon-Carbon NMR Spin-Spin Coupling Constants. [electronic resource] by Suardíaz, R Pérez, C Crespo-Otero, R García de la Vega, José M Fabián, Jesús San Producer: 20151202 In: Journal of chemical theory and computation vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Assessing How Correlated Molecular Orbital Calculations Can Perform versus Kohn-Sham DFT: Barrier Heights/Isomerizations. [electronic resource] by Varandas, António J C Martínez González, Marco Montero-Cabrera, Luis A Garcia de la Vega, José M Producer: 20180202 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 23 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Self-interaction error in DFT-based modelling of ionic liquids. [electronic resource] by Lage-Estebanez, Isabel Ruzanov, Anton García de la Vega, José M Fedorov, Maxim V Ivaništšev, Vladislav B Producer: 20160704 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)
	12.	Theoretical study of imidazole...NO complexes. [electronic resource] by Crespo-Otero, Rachel Bravo-Rodríguez, Kenny Suardíaz, Reynier Montero, Luis A García de la Vega, José M Producer: 20100301 In: The journal of physical chemistry. A vol. 113 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands. [electronic resource] by Pérez, Germán M Salomón, Luis A Montero-Cabrera, Luis A de la Vega, José M García Mascini, Marcello Producer: 20161214 In: Molecular diversity vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Subphthalocyanine-fused dimers and trimers: synthetic, electrochemical, and theoretical studies. [electronic resource] by Iglesias, Rodrigo S Claessens, Christian G Torres, Tomas Herranz, M Angeles Ferro, Victor R de la Vega, Jose M García Producer: 20070524 In: The Journal of organic chemistry vol. 72 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Theoretical Study on the Mechanism of the Thermal Retro-Cycloaddition of Isoxazolinofullerenes. [electronic resource] by Morera-Boado, Cercis Martínez González, Marco Miranda-Quintana, Ramón A Suárez, Margarita Martínez-Álvarez, Roberto Martín, Nazario García de la Vega, José M Producer: 20180123 In: The journal of physical chemistry. A vol. 120 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Interaction of brassinolide with essential amino acid residues: a theoretical approach. [electronic resource] by Morera-Boado, Cercis Mora-Diez, Nelaine Montero-Cabrera, Luis A Alonso-Becerra, Esther González-Jonte, Raul H de la Vega, Jose M García Producer: 20100628 In: Journal of molecular graphics & modelling vol. 28 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn-Sham Density Functional Theory. [electronic resource] by Martínez González, Marco Xavier, F George D Li, Jing Montero-Cabrera, Luis A Garcia de la Vega, Jose M Varandas, António J C Producer: 20200113 In: The journal of physical chemistry. A vol. 124 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Structural modulation of the dipolar-octupolar contributions to the NLO response in subphthalocyanines. [electronic resource] by Claessens, Christian G González-Rodríguez, David Torres, Tomás Martín, Guillermo Agulló-López, Fernando Ledoux, Isabelle Zyss, Joseph Ferro, Victor R García de la Vega, José M Producer: 20070531 In: The journal of physical chemistry. B vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine. [electronic resource] by Montero-Cabrera, Luis Alberto Röhrig, Ute Padrón-Garcia, Juan A Crespo-Otero, Rachel Montero-Alejo, Ana L Garcia de la Vega, José M Chergui, Majed Rothlisberger, Ursula Producer: 20080110 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)
	20.	On the unusual 2J(C2-H(f)) coupling dependence on syn/anti CHO conformation in 5-X-furan-2-carboxaldehydes. [electronic resource] by Pérez, Carlos Suardíaz, Reynier Ortiz, Pedro J Crespo-Otero, Rachel Bonetto, Gloria M Gavín, José A García de la Vega, José M San Fabián, Jesús Contreras, Rubén H Producer: 20081030 In: Magnetic resonance in chemistry : MRC vol. 46 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 21 results.