about
Thermochemistry, bonding, and reactivity of Ni+ and Ni2+ in the gas phase.An Ab Initio Study of the Structures and Selected Properties of 1,2-Dihydro-1,2-azaborine and Related Molecules.[FAAF](-) (A = O, S, Se, Te) or How Electrostatic Interactions Influence the Nature of the Chemical Bond.Aluminum monocation basicity and affinity scales.Infrared spectra of a species of potential prebiotic and astrochemical interest: cyanoethenethiol (NC-CH=CH-SH).Enhanced acidity of cyclopenta-2,4-dienylborane and its Al and Ga analogues. The role of aromatization.Are cyclopentadienylberyllium, magnesium and calcium hydrides carbon or metal acids in the gas phase?Combined jet relaxation and quantum chemical study of the pairing preferences of ethanol.Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes.Gas-phase chemistry of ethynylamine, -phosphine and -arsine. Structure and stability of their Cu+ and Ni+ complexes.Enhancing and modulating the intrinsic acidity of imidazole and pyrazole through beryllium bonds.Revealing unexpected mechanisms for nucleophilic attack on S-S and Se-Se bridges.Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantanecarbaldehyde in the gas phase? FT-ICR and high-level ab initio studies.Acidity trends in alpha,beta-unsaturated sulfur, selenium, and tellurium derivatives: comparison with C-, Si-, Ge-, Sn-, N-, P-, As-, and Sb-containing analogues.On the "gluing" effect of lithium: the lithium-driven assembly of circum-arranged, edge-fused cyclopentadienyl lithium compounds and aza analogues.The mechanism of double proton transfer in dimers of uracil and 2-thiouracil--the reaction force perspective.Why are selenouracils as basic as but stronger acids than uracil in the gas phase?The importance of the oxidative character of doubly charged metal cations in binding neutral bases. [Urea-M]2+ and [thiourea-M]2+ (M = Mg, Ca, Cu) complexes.Bonding in tropolone, 2-aminotropone, and aminotroponimine: no evidence of resonance-assisted hydrogen-bond effects.Accelerating charge transfer in a triphenylamine-subphthalocyanine donor-acceptor system.Infrared spectra of cyanoacetaldehyde (NCCH2CHO): a potential prebiotic compound of astrochemical interest.Density functional theory study of the hydrogen bond interaction between lactones, lactams, and methanol.Protonation thermochemistry of selected hydroxy- and methoxycarbonyl molecules.Ni(+) reactions with aminoacetonitrile, a potential prebiological precursor of glycine.Gas-phase deprotonation of uracil-Cu2+ and thiouracil-Cu2+ complexes.On the structures, lifetimes, and infrared spectra of alkylmercury hydrides.Gas-phase reactivity of [Ca(formamide)]2+ complex: an example of different dynamical behaviours.Beryllium-based fluorenes as efficient anion sponges.Are beryllium-containing biphenyl derivatives efficient anion sponges?Ga(+) Basicity and Affinity Scales Based on High-Level Ab Initio Calculations.One-Electron Bonds in Frustrated Lewis Pair TPB Ligands: Boron Behaving as a Lewis Base.Gas-Phase Infrared Spectroscopy of Substituted Cyanobutadiynes: Roles of the Bromine Atom and Methyl Group as Substituents.Beryllium-Based Anion Sponges: Close Relatives of Proton Sponges.Large Proton-Affinity Enhancements Triggered by Noncovalent Interactions.Trapping one electron between three beryllium atoms. Very strong one-electron three-center bonds.Alkaline-earth (Be, Mg and Ca) bonds at the origin of huge acidity enhancements.One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.Cooperativity and proton transfer in hydrogen-bonded triads.Oxygenation of the phenylhalocarbenes. Are they spin-allowed or spin-forbidden reactions?Structural and electronic effects on one-bond spin-spin coupling constants 1J(B-N), 1J(B-H), and 1J(B-F) for complexes of nitrogen bases with BH3 and its fluoro-substituted derivatives.
P50
Q36816949-40BD77CB-8E49-4276-93F0-F73452C9B19BQ40264058-5E5EE07B-2AAA-41FF-9B3E-1C3C5E93F78CQ40292050-E0519C84-8A24-4A54-8841-DBDCDEC0103EQ40606831-45C4E317-65B8-4598-8047-7663D15C9BC8Q42936560-FE307AFE-2F95-4F0A-9677-F29C0BABEBC7Q43071125-457A5CD8-56C4-4BA6-947B-179B00804FEFQ43097280-6666B90A-A0F5-490F-B91D-31C6EC632B56Q43269295-EE07BCE1-354D-42BF-95CE-EBDF919F452EQ43654065-BBDC8D17-D52F-48A0-B34B-41BFED444B1FQ44322048-0C22B1E4-3511-43C7-B73F-7ED0035F5E4FQ44400094-D6385830-77FA-4531-8DD6-E682AD925C64Q45047578-A3C21FF9-791B-4DEA-912E-0D99983212F8Q45237225-977763C7-B2DC-4EEF-8795-BEFADF50D87DQ45268196-CC16F590-43F3-43E5-BE1E-A543F3F5AB63Q46135486-609116B5-EED0-4447-872A-D0C252B5AB86Q46446041-BA7C13B3-656E-49F3-92F7-AED32F6D5D92Q46489682-6F5835E8-941D-4922-8308-DD2B54EF5E01Q46578393-96835404-0F91-4B71-A37C-A74B499325BFQ46669826-57F0FA62-E767-4820-8CE3-5E0076C7CADCQ46671600-80513CDE-82D7-43D3-BA26-2D1717634D38Q46835714-4476A064-9FE9-45F5-8D8A-D67408C49A22Q46838795-85FA4030-502B-4F8F-8442-62F5E5DF93D3Q46860423-6C0F091F-FC42-4A17-834D-1DCFD11373CEQ46862180-BA1E14F7-0CAE-412C-97B5-F75B27EE1140Q46922454-47DA5ED9-302C-4912-99B6-6824C1B25B4DQ46944303-AD683689-2F06-4955-B239-116CFDB787C7Q47923088-937ACB0A-1A8C-4621-BF9F-75E7CB69F345Q47924873-EDF44ED8-24DA-4912-A8BB-B465DBADB297Q48096402-330FD8C3-7525-4A6C-9CC0-932D545BAC5FQ48147185-8923AD80-A443-4FA0-8F9A-5535A6D0A7EAQ48166414-BA2A571D-D63C-4748-A165-DBFFFFF4213AQ48252932-946B139F-C84F-4850-9DEC-75D8D698E655Q48284605-D04BB6AD-5B0A-42A6-B142-DDD84BFDDD3EQ48291311-D6E47251-02DD-47E7-BFC6-DB3A20AAB3D1Q49608180-0D6C44FC-E952-42A0-8F19-C5929055E7CBQ50141261-99A4329B-6B78-422D-BE32-8886C064A6A5Q50543309-7C0CBD3B-B5A5-4A8D-9F35-03F1B761A009Q50764241-60CEC9E4-59E5-4554-9A51-C90CCA5BF58CQ51488818-6D927296-9EA5-4DA7-85C2-A6DC4C61BD56Q51638966-24E7EEE0-956A-41BD-BAAD-0D236FEBC967
P50
description
investigador
@es
researcher
@en
wetenschapper
@nl
name
Manuel Yanez
@ast
Manuel Yanez
@en
Manuel Yanez
@es
Manuel Yanez
@nl
type
label
Manuel Yanez
@ast
Manuel Yanez
@en
Manuel Yanez
@es
Manuel Yanez
@nl
prefLabel
Manuel Yanez
@ast
Manuel Yanez
@en
Manuel Yanez
@es
Manuel Yanez
@nl
P1053
A-7100-2012
P106
P1153
7006911382
P21
P31
P496
0000-0003-0854-585X