| 1 | Simulating the Helicase Enzymatic Action on ds-DNA: A First-Principles Molecular Dynamics Study | Coautor y autor de correspondencia: Santamaria, R, Rodriguez-Leon, AI, Ordoñez, C | 2025 | Acs Omega | WoS-id: 001399611400001
Scopus-id: 2-s2.0-85215437742
| 0 | 0 |
| 2 | Vapor Nanobubbles around Heated Nanoparticles: Wetting Dependence of the Local Fluid Thermodynamics and Kinetics of Nucleation | Coautor: Santamaria R., Gutiérrez-Varela O., Lombard J., Biben T., et al. | 2023 | Langmuir | WoS-id: 001142939800001
Scopus-id: 2-s2.0-85180110387
| 3 | 4 |
| 3 | Dissociation of the Watson-Crick base pairs in vacuum and in aqueous solution: a first-principles molecular dynamics study | Coautor y autor de correspondencia: Santamaria, Ruben, Ordonez, Cristian, Martinez-Zapata, Daniel | 2022 | JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | WoS-id: 000705172900001
Scopus-id: 2-s2.0-85116752963
| 1 | 2 |
| 4 | Size-dependent effects of the thermal transport at gold nanoparticle-water interfaces | Coautor y autor de correspondencia: Santamaria R., Gutiérrez-Varela O., Merabia S. | 2022 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000892536400004
Scopus-id: 2-s2.0-85137092538
| 11 | 12 |
| 5 | Molecular nature of the drag force | 2ᵒ autor y autor de correspondencia: Santamaria, Ruben, Gutierrez-Varela, Oscar | 2021 | JOURNAL OF MOLECULAR LIQUIDS | WoS-id: 000686897700006
Scopus-id: 2-s2.0-85107759844
| 3 | 6 |
| 6 | The Electron Bubble and the He 60 Fullerene: A First-Principles Approach | 1ᵉʳ autor: Santamaria, R., Soullard, J., Barrera, R. G. | 2019 | JOURNAL OF LOW TEMPERATURE PHYSICS | WoS-id: 000467909100006
Scopus-id: 2-s2.0-85059338161
| 1 | 2 |
| 7 | Physico-chemical characterization of hybridized graphene and boron-nitride layers | Coautor y autor de correspondencia: Santamaria R., Martínez-Alanis P.R., de la Paz A.A. | 2018 | Mediterranean Journal Of Chemistry | Scopus-id: 2-s2.0-85055945384
| 0 | 1 |
| 8 | The interaction of sodium sulfite with the DNA nucleic acid bases: A first-principles molecular dynamics study | Coautor y autor de correspondencia: Santamaria R., Martínez-Zapata D., Rosas-Acevedo H. | 2017 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | WoS-id: 000392895400015
Scopus-id: 2-s2.0-84998694366
| 4 | 4 |
| 9 | Statistical Contact Model for Confined Molecules | 1ᵉʳ autor: Santamaria, Ruben, Alvarez de la Paz, Antonio, Roskop, Luke, Adamowicz, Ludwik | 2016 | JOURNAL OF STATISTICAL PHYSICS | WoS-id: 000380266900011
Scopus-id: 2-s2.0-84976385243
| 8 | 8 |
| 10 | Microscopic pressure-cooker model for studying molecules in confinement | 1ᵉʳ autor: Santamaria R., Adamowicz L., Rosas-Acevedo H. | 2015 | MOLECULAR PHYSICS | WoS-id: 000350448600003
Scopus-id: 2-s2.0-84924627219
| 6 | 7 |
| 11 | Polymer folding via external potentials in ab-initio calculations | 1ᵉʳ autor: Santamaria R., Jones K., Arroyo M., González-García T. | 2015 | COMPUTATIONAL AND THEORETICAL CHEMISTRY | WoS-id: 000358807600011
Scopus-id: 2-s2.0-84936945834
| 3 | 4 |
| 12 | Evolution of the vibrational spectra of doped hydrogen clusters with pressure | 1ᵉʳ autor: Santamaria R., Soullard J., Bokhimi X., Martínez-Alanis P.R. | 2014 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000336832700011
Scopus-id: 2-s2.0-84901490982
| 2 | 2 |
| 13 | Pressure-induced metallization of Li+-doped hydrogen clusters | 1ᵉʳ autor: Santamaria R., Bokhimi X., Soullard J., Jellinek J. | 2013 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000321884500010
Scopus-id: 2-s2.0-84880176208
| 3 | 3 |
| 14 | Equation of State of a Model Methane Clathrate Cage | 1ᵉʳ autor: Santamaria R., Mondragón-Sánchez J.A., Bokhimi X. | 2012 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000302591600020
Scopus-id: 2-s2.0-84859796836
| 8 | 7 |
| 15 | Docking on the DNA G-Quadruplex: A Molecular Electrostatic Potential Study | 2ᵒ autor: Santamaria, R, Mondragon-Sanchez, JA, Garduno-Juarez, R | 2011 | Biopolymers | WoS-id: 000292561300006
Scopus-id: 2-s2.0-79959723259
| 9 | 10 |
| 16 | Thermodynamic States of Nanoclusters at Low Pressure and Low Temperature: The Case of 13 H-2 | 2ᵒ autor: Santamaria, R, Soullard, J, Boyer, D | 2011 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000294385800003
Scopus-id: 2-s2.0-80052322070
| 5 | 6 |
| 17 | Vibrational Circular Dichroism and IR Absorption Spectra of Amino Acids: A Density Functional Study | 2ᵒ autor: Santamaria, R, Ji, Z, Garzon, IL | 2010 | JOURNAL OF PHYSICAL CHEMISTRY A | WoS-id: 000275327600028
Scopus-id: 2-s2.0-77949426811
| 18 | 19 |
| 18 | Thermal behavior of a 13-molecule hydrogen cluster under pressure | 1ᵉʳ autor: Santamaria R., Soullard J., Jellinek J. | 2010 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000276209700029
Scopus-id: 2-s2.0-77950428446
| 6 | 7 |
| 19 | The interaction of vanadyl porphyrin with the HY zeolite surface | 2ᵒ autor: Santamaria, R, Zaragoza, IP, Salcedo, R | 2009 | JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL | WoS-id: 000267625000010
Scopus-id: 2-s2.0-66849124873
| 5 | 9 |
| 20 | Pressure and size effects in endohedrally confined hydrogen clusters | 2ᵒ autor: Santamaria R., Soullard J., Jellinek J. | 2008 | JOURNAL OF CHEMICAL PHYSICS | WoS-id: 000253238200029
Scopus-id: 2-s2.0-39349114240
| 15 | 15 |
| 21 | Structural and electronic changes of cytosine upon addition of atomic sulfur | 2ᵒ autor y autor de correspondencia: Santamaria R., Mollinedo-Rosado P. | 2007 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | WoS-id: 000244588400015
Scopus-id: 2-s2.0-33846621037
| 2 | 3 |
| 22 | Selectivity of a model zeolite ring over hydrocarbons with different symmetry, travelling with different orientations and speeds | Coautor y autor de correspondencia: Santamaria R., Zaragoza I.P., García-Serrano L.A. | 2005 | JOURNAL OF PHYSICAL CHEMISTRY B | WoS-id: 000226313200008
Scopus-id: 2-s2.0-13244249805
| 6 | 7 |
| 23 | The atomization process of endohedrally confined hydrogen molecules | 1ᵉʳ autor: Santamaría R., Soullard J. | 2005 | CHEMICAL PHYSICS LETTERS | WoS-id: 000232508900043
Scopus-id: 2-s2.0-25844506621
| 11 | 11 |
| 24 | Endohedral confinement of molecular hydrogen | 2ᵒ autor: Santamaria R., Soullard J., Cruz S.A. | 2004 | CHEMICAL PHYSICS LETTERS | WoS-id: 000221977500035
Scopus-id: 2-s2.0-2542479930
| 27 | 28 |
| 25 | The cracking of n-heptane in the gas phase state and in the HZSM-5 zeolite: A quantum molecular dynamics study | 2ᵒ autor y autor de correspondencia: Santamaria R., Zaragoza I.P. | 2002 | MOLECULAR PHYSICS | WoS-id: 000177615700011
Scopus-id: 2-s2.0-0037058146
| 6 | 6 |
| 26 | Building wave functions for large molecules from their fragments | 1ᵉʳ autor: Santamaria R., Mondragón-Sánchez J.A., Cunningham M.A. | 2001 | PHYSICAL REVIEW A | WoS-id: 000171609900041
Scopus-id: 2-s2.0-0035472044
| 1 | 1 |
| 27 | The catalytic cracking of hydrocarbons: Paraffins in the HZSM-5 zeolite | Coautor y autor de correspondencia: Santamaria R., Martínez Magadán J.M., Mercado S.M. | 2001 | Chemphyschem | Scopus-id: 2-s2.0-0035915263
| 0 | 7 |
| 28 | Promotional effect of Co or Ni impurity in the catalytic activity of MoS2: An electronic structure study | Coautor: Santamaria R., Gómez-Balderas R., Martínez-Magadán J.M., Amador C. | 2000 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: 000089711100010
Scopus-id: 2-s2.0-0343789656
| 8 | 8 |
| 29 | DFT study of the interaction of the HZSM-5 zeolite with the benzene molecule | Coautor: Santamaria R., Zaragoza I.P., Martínez-Magadán J.M., Dixon D., et al. | 2000 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | Scopus-id: 2-s2.0-0342906522
| 0 | 17 |
| 30 | Vibrational spectra of nucleic acid bases and their Watson-Crick pair complexes | 1ᵉʳ autor: Santamaria R., Charro E., Zacarías A., Castro M. | 1999 | JOURNAL OF COMPUTATIONAL CHEMISTRY | Scopus-id: 2-s2.0-0000823662
| 0 | 121 |
| 31 | Molecular electrostatic potentials and Mulliken charge populations of DNA mini-sequences | 1ᵉʳ autor: Santamaria R., Cocho G., Corona L., González E. | 1998 | CHEMICAL PHYSICS | WoS-id: 000072327300003
Scopus-id: 2-s2.0-0032351452
| 23 | 26 |
| 32 | Molecular dynamics study of the Ag6 cluster using an ab initio many-body model potential | Coautor: Santamaria R., Garzón I.L., Kaplan I.G., Novaro O. | 1998 | JOURNAL OF CHEMICAL PHYSICS | Scopus-id: 2-s2.0-0000732684
| 0 | 25 |
| 33 | Ab initio model potential and molecular dynamics simulation of Ag6 clusters | Coautor: Santamaria R., Garzón I.L., Kaplan I.G., Vaisberg B.S., et al. | 1997 | Z PHYS D ATOM MOL CL | Scopus-id: 2-s2.0-0001980322
| 0 | 9 |
| 34 | Design of an exchange functional with correct asymptotics | 1ᵉʳ autor y autor de correspondencia: Santamaria R. | 1997 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | Scopus-id: 2-s2.0-0004140508
| 0 | 6 |
| 35 | Ab initio model potentials and their application to the thermal stability of metal clusters | Coautor: Santamaría R., Kaplan I.G., Garzón I.L., Vaisberg B.S., et al. | 1997 | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | WoS-id: A1997XV71400036
Scopus-id: 2-s2.0-4243788597
| 8 | 13 |
| 36 | Size effects and the role of nonadditive forces in neutral and anionic silver-cluster stability | 2ᵒ autor: Santamaría R., Kaplan I.G., Novaro O. | 1996 | SURFACE REVIEW AND LETTERS | WoS-id: A1996VH16000046
Scopus-id: 2-s2.0-0011986373
| 4 | 5 |
| 37 | Non-additive forces in atomic clusters the case of agn | 2ᵒ autor: Santamaría R., Kaplan I.G., Novaro O. | 1995 | MOLECULAR PHYSICS | WoS-id: A1995QH54900007
Scopus-id: 2-s2.0-33645827488
| 50 | 54 |
| 38 | Erratum | 1ᵉʳ autor: Santamaria, R., Kaplan, I.G., Novaro, O. | 1995 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | Scopus-id: 2-s2.0-84981601805
| 0 | 0 |
| 39 | On the test of different atomic exchange functionals | 1ᵉʳ autor: Santamaria, R., Kaplan, I.G., Novaro, O. | 1995 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: A1995TA50400014
Scopus-id: 2-s2.0-84981689217
| 5 | 6 |
| 40 | Theoretical study of the geometric structures and energetic properties of anionic clusters. Ag n- (n = 2 to 6) | 2ᵒ autor: Santamaria, R., Kaplan, I.G., Novaro, O. | 1993 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | Scopus-id: 2-s2.0-84987142123
| 0 | 27 |
| 41 | Effects of exchange on equilibrium bond lengths of heavy, almost spherical, tetrahedral molecules XH4 | Coautor y autor de correspondencia: Santamaria, R., Egorov, S.A., March, N.H. | 1992 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: A1992HQ86400002
Scopus-id: 2-s2.0-84990713796
| 1 | 2 |
| 42 | Generalized statistical approach to the study of interatomic interactions | 1ᵉʳ autor: Santamaría, R., Berrondo, M., Novaro, O., Kryachko, E.S. | 1989 | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | WoS-id: A1989T144600002
Scopus-id: 2-s2.0-84990678016
| 1 | 1 |
ID's SCOPUS 