| 2035 - 2038 |
Proton affinities of borane-amines: Consequences on dihydrogen bonding
Patwari GN |
| 2039 - 2042 |
From alcohols to sugars - how does the reactivity of alpha-hydroxyalkyl radicals change with structure? A quantitative examination by pulse radiolysis
Yadav P, Rao BSM, Batchelor SN, O'Neill P |
| 2043 - 2049 |
Hydrogen-bond formation between isoindolo[2,1-a]indol-6-one and aliphatic alcohols in n-hexane
Demeter A, Berces T |
| 2050 - 2056 |
Nonadiabatic time-dependent wave packet study of the D++H-2 reaction system
Chu TS, Han KL |
| 2057 - 2061 |
Three dimensional quantum dynamics of (H-, H-2) and its isotopic variants
Panda AN, Giri K, Sathyamurthy N |
| 2062 - 2068 |
One electron oxidation induced dimerization of 5-hydroxytryptophol: role of 5-hydroxy substitution
Naik GH, Priyadarsini KI, Maity AK, Mohan H |
| 2069 - 2077 |
C-alpha-H bond-stretching frequency in alcohols as a probe of hydrogen-bonding strength: A combined vibrational spectroscopic and theoretical study of n-[1-D]propanol
Jarmelo S, Maiti N, Anderson V, Carey PR, Fausto R |
| 2078 - 2089 |
Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: Ultrafast experiments and DFT/TDDFT studies
Gunaratne TC, Gusev AV, Peng XZ, Rosa A, Ricciardi G, Baerends EJ, Rizzoli C, Kenney ME, Rodgers MAJ |
| 2090 - 2099 |
Femtosecond fluorescence dynamics of rotation-restricted azobenzenophanes: new evidence on the mechanism of trans -> cis photoisomerization of azobenzene
Lu YC, Diau EWG, Rau H |
| 2100 - 2106 |
Combined theoretical and experimental deep-UV resonance Raman studies of substituted pyrenes
Neugebauer J, Baerends EJ, Efremov EV, Ariese F, Gooijer C |
| 2107 - 2112 |
Protonated serine octamer cluster: Structure elucidation by gas-phase H/D exchange reactions
Mazurek U, Geller O, Lifshitz C, McFarland MA, Marshall AG, Reuben BG |
| 2113 - 2119 |
Influence of localized excited states on the transition moment directions of charge transfer complex absorptions
Levy D, Arnold BR |
| 2120 - 2126 |
Breaking of ketene bonds during HCl addition to trimethylsilylketene
Pietri N, Gaudel-Siri A, Couturier-Tamburelli I, Pons JM, Aycard JP |
| 2127 - 2138 |
Anharmonic, temperature, and matrix effects on the molecular structure and vibrational frequencies of lanthanide trihalides LnX3 (Ln = La, Lu; X = F, Cl)
Lanza G, Minichino C |
| 2139 - 2150 |
Calculation of vibrational spectra of linear tetrapyrroles. 3. Hydrogen-bonded hexamethylpyrromethene dimers
Mroginski MA, Nemeth K, Bauschlicher T, Klotzbucher W, Goddard R, Heinemann O, Hildebrandt P, Mark F |
| 2151 - 2159 |
Rydberg-Valence mixing in the carbon 1s near-edge X-ray absorption fine structure spectra of gaseous alkanes
Urquhart SG, Gillies R |
| 2160 - 2166 |
UV-induced trithione -> trithiol triple proton transfer in trithiocyanuric acid isolated in low-temperature matrixes
Rostkowska H, Lapinski L, Khvorostov A, Nowak MJ |
| 2167 - 2182 |
Ar-matrix IR spectra of 5-halouracils interpreted by means of DFT calculations
Dobrowolski JC, Rode JE, Kolos R, Jamroz MH, Bajdor K, Mazurek AP |
| 2183 - 2189 |
Modeling the competitive dissociation of protonated 2,3-butanedione. The enthalpy of formation of methylhydroxycarbene
Liu XP, Gross ML, Wenthold PG |
| 2190 - 2196 |
Mechanistic studies of the pyrolysis of 1,3-butadiene, 1,3-butadiene-1,1,4,4d(4),1,2-butadiene, and 2-butyne by supersonic jet/photoionization mass spectrometry
Chambreau SA, Lemieux J, Wang LM, Zhang JS |
| 2197 - 2206 |
248-nm laser photolysis of CHBr3/O-atom mixtures: Kinetic evidence for UVCO(A) chemiluminescence in the reaction of methylidyne radicals with atomic oxygen
Vaghjiani GL |
| 2207 - 2216 |
IR kinetic spectroscopy investigation of the CH4+O(D-1) reaction
Chen HB, Thweatt WD, Wang JJ, Glass GP, Curl RF |
| 2217 - 2222 |
A fast flow tube study of gas phase H/D exchange of multiply protonated ubiquitin
Geller O, Lifshitz C |
| 2223 - 2232 |
Influence of Pb(II) on the radical properties of humic substances and model compounds
Giannakopoulos E, Christoforidis KC, Tsipis A, Jerzykiewicz M, Deligiannakis Y |
| 2233 - 2253 |
Thermochemical properties, rotation barriers, and group additivity for unsaturated oxygenated hydrocarbons and radicals resulting from reaction of vinyl and phenyl radical systems with O-2
Sebbar N, Bockhorn H, Bozzelli JW |
| 2254 - 2263 |
Multifrequency time-resolved electron paramagnetic resonance investigations after photolysis of phosphine oxide photoinitiators. Dependence of triplet mechanism chemically induced dynamic electron polarization on microwave frequency
Makarov TN, Savitsky AN, Mobius K, Beckert D, Paul H |
| 2264 - 2281 |
Detailed modeling of the reaction of C2H5+O-2
Carstensen HH, Naik CV, Dean AM |
| 2282 - 2291 |
Atmospheric chemistry of diethyl methylphosphonate, diethyl ethylphosphonate, and triethyl phosphate
Aschmann SM, Tuazon EC, Atkinson R |
| 2292 - 2301 |
Non-Watson-Crick base pairing in RNA. Quantum chemical analysis of the cis Watson-Crick/sugar edge base pair family
Sponer JE, Spackova N, Kulhanek P, Leszczynski J, Sponer J |
| 2302 - 2309 |
Comparison of the photophysical properties of osmium(II) bis(2,2': 6',2''-terpyridine) and the corresponding ethynylated derivative
Benniston AC, Harriman A, Li PY, Sams CA |
| 2310 - 2316 |
Steric strain versus hyperconjugative stabilization in ethane congeners
Song LC, Lin YC, Wu W, Zhang QN, Mo YR |
| 2317 - 2324 |
Influence of substituents on the anharmonicity of nu(s)(OH) vibration in phenol derivatives explored by experimental and theoretical approach
Czarnik-Matusewicz B, Rospenk M, Koll A, Mavri J |
| 2325 - 2339 |
Elucidation of the electronic structure of molecules with the help of NMR spin-spin coupling constants: The FH molecule
Grafenstein J, Tuttle T, Cremer D |
| 2340 - 2349 |
Comprehensive density functional theory study on serine and related ions in gas phase: Conformations, gas phase basicities, and acidities
Miao R, Jin C, Yang GS, Hong J, Zhao CM, Zhu LG |
| 2350 - 2355 |
Ab initio study of the influence of trimer formation on one- and two-bond spin-spin coupling constants across an X-H-Y hydrogen bond: AH : XH : YH3 complexes for A, X = F-19, Cl-35 and Y = N-15, P-31
Del Bene JE, Elguero J, Alkorta I, Mo O, Yanez M |
| 2356 - 2363 |
Unimolecular and bimolecular calculations for HN2
Caridade PJSB, Rodrigues SPJ, Sousa F, Varandas AJC |
| 2364 - 2372 |
Theoretical study on stability and properties of NC2O isomers
Yu GT, Ding YH, Huang XR, Bai HT, Sun CC |
| 2373 - 2380 |
A TDDFT study of the optical response of DNA bases, base pairs, and their tautomers in the gas phase
Tsolakidis A, Kaxiras E |
| 2381 - 2393 |
Ozonolysis of fluoroethene: Theoretical study of unimolecular decomposition paths of primary and secondary fluorozonide
Ljubic I, Sabljic A |
| 2394 - 2400 |
Direct observation of the 4-methoxyphenylnitrene intersystem crossing from Si to Ti using picosecond Kerr-gated time-resolved resonance Raman spectroscopy
Kwok WM, Chan PY, Phillips DL |
| 2401 - 2409 |
Theoretical and experimental study of the product branching in the reaction of acetic acid with OH radicals
De Smedt F, Bui XV, Nguyen TL, Peeters J, Vereecken L |
| 2410 - 2411 |
Comment on "computational investigation of SO3-NH3-nXn (n=0-3; X = F, Cl) interactions
Antoniotti P, Borocci S, Grandinetti F |
| 2412 - 2412 |
Reply to comment on "computational investigation of SO3-NH3-nXn (n=0-3; X = F, Cl) interactions"
Solimannejad M, Boutalib A |
