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Results 1 to 25 of 929

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A comprehensive theoretical view of the bonding in actinide molecular complexesPETIT, Laurence; JOUBERT, Laurent; MALDIVI, Pascale et al.Journal of the American Chemical Society. 2006, Vol 128, Num 7, pp 2190-2191, issn 0002-7863, 2 p.Article

Origin of trans-bent geometries in maximally bonded transition metal and main group moleculesLANDIS, Clark R; WEINHOLD, Frank.Journal of the American Chemical Society. 2006, Vol 128, Num 22, pp 7335-7345, issn 0002-7863, 11 p.Article

Aromatic C-H...O interactions in a series of bindone analogues. NMR and quantum mechanical studySIGALOV, Mark; VASHCHENKO, Alexander; KHODORKOVSKY, Vladimir et al.Journal of organic chemistry. 2005, Vol 70, Num 1, pp 92-100, issn 0022-3263, 9 p.Article

Proton affinity of β-oxalylaminoalanine (BOAA) : Incorporation of direct entropy correction into the single-reference kinetic methodWIND, Joshua J; PAPP, Lindsay; HAPPEL, Maria et al.Journal of the American Society for Mass Spectrometry. 2005, Vol 16, Num 7, pp 1151-1161, issn 1044-0305, 11 p.Article

Structures and hydration enthalpies of cationized glutamine and structural analogues in the gas phaseLEMOFF, Andrew S; BUSH, Matthew F; WU, Chih-Che et al.Journal of the American Chemical Society. 2005, Vol 127, Num 29, pp 10276-10286, issn 0002-7863, 11 p.Article

Improved proton affinity measurements for proline and modified prolines using triple quadrupole and ion trap mass spectrometersMEZZACHE, S; BRUNELEAU, N; VEKEY, K et al.Journal of mass spectrometry. 2005, Vol 40, Num 10, pp 1300-1308, issn 1076-5174, 9 p.Article

Cation-π interactions of a thiocarbonyl group and a carbonyl group with a pyridinium nucleusYAMADA, Shinji; MISONO, Tomoko; TSUZUKI, Seiji et al.Journal of the American Chemical Society. 2004, Vol 126, Num 31, pp 9862-9872, issn 0002-7863, 11 p.Article

The propionyl cation heat of formation revisitedHARVEY, Zoë A; TRAEGER, John C.Journal of mass spectrometry. 2004, Vol 39, Num 7, pp 802-807, issn 1076-5174, 6 p.Article

Transferability of energies of atoms in organic moleculesMANDADO, Marcos; VILA, Antonio; GRANA, Ana M et al.Chemical physics letters. 2003, Vol 371, Num 5-6, pp 739-743, issn 0009-2614, 5 p.Article

Generalized principle of designing neutral superstrong Brønsted acidsKOPPEL, Ilmar A; BURK, Peeter; KOPPEL, Ivar et al.Journal of the American Chemical Society. 2002, Vol 124, Num 19, pp 5594-5600, issn 0002-7863Article

Estimation of heterolytic bond dissociation energies by the kinetic methodCHEN, G; COOKS, R. G.Journal of mass spectrometry. 1997, Vol 32, Num 11, pp 1258-1261, issn 1076-5174Article

GAS-PHASE BASICITIES OF POLYFUNCTIONAL MOLECULES. PART 2: SATURATED BASIC SITESBOUCHOUX, Guy; SALPIN, Jean-Yves.Mass spectrometry reviews (Print). 2012, Vol 31, Num 3, pp 353-390, issn 0277-7037, 38 p.Article

Gas-phase basicity of 2-furaldehydeRICCI, Andreina; PICCOLELLA, Simona; PEPI, Federico et al.Journal of mass spectrometry. 2012, Vol 47, Num 11, pp 1488-1494, issn 1076-5174, 7 p.Article

Gas-Phase Acid-Base Properties of Melamine and Cyanuric AcidMUKHERJEE, Sumit; JIANHUA REN.Journal of the American Society for Mass Spectrometry. 2010, Vol 21, Num 10, pp 1720-1729, issn 1044-0305, 10 p.Article

Estimation of the proton affinity values of fifteen matrix-assisted laser desorption/ionization matrices under electrospray ionization conditions using the kinetic methodMIRZA, Shama Parveen; PRASADA RAJU, N; VAIRAMANI, M et al.Journal of the American Society for Mass Spectrometry. 2004, Vol 15, Num 3, pp 431-435, issn 1044-0305, 5 p.Article

Molecular recognition and conductance in crown ethersLIU, Chris; WALTER, Derek; NEUHAUSER, Daniel et al.Journal of the American Chemical Society. 2003, Vol 125, Num 46, pp 13936-13937, issn 0002-7863, 2 p.Article

The binding energy of Ar to p-difluorobenzene-Ar. How large are three-body effects in p-difluorobenzene-Ar2?BELLM, Susan M; LAWRANCE, Warren D.Chemical physics letters. 2003, Vol 368, Num 5-6, pp 542-546, issn 0009-2614, 5 p.Article

Binding energies of water to sodiated valine and structural isomers in the gas phase: The effect of proton affinity on zwitterion stabilityLEMOFF, Andrew S; BUSH, Matthew F; WILLIAMS, Evan R et al.Journal of the American Chemical Society. 2003, Vol 125, Num 44, pp 13576-13584, issn 0002-7863, 9 p.Article

True stabilization energies for the optimal Planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: Complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experimentJURECKA, Petr; HOBZA, Pavel.Journal of the American Chemical Society. 2003, Vol 125, Num 50, pp 15608-15613, issn 0002-7863, 6 p.Article

Low-valent group-13 chemistry. Theoretical investigation of the structures and relative stabilities of donor-acceptor complexes R3E-E'R' and their isomers R2E-E'RR'TIMOSHKIN, Alexey Y; FRENKING, Gernot.Journal of the American Chemical Society. 2002, Vol 124, Num 24, pp 7240-7248, issn 0002-7863Article

On the physical origin of blue-shifted hydrogen bondsXIAOSONG LI; LEI LIU; SCHLEGEL, H. Bernhard et al.Journal of the American Chemical Society. 2002, Vol 124, Num 32, pp 9639-9647, issn 0002-7863Article

Formation and photodissociation of M+-C6H6 (M+ = V+ and Ta+) and Ta+-C6H4 complexes in a time-of-flight mass spectrometerLEE, Hsiu-Fang; LIN, Fang-Wei; YEH, Chen-Sheng et al.Journal of mass spectrometry. 2001, Vol 36, Num 5, pp 493-499, issn 1076-5174Article

Thermodynamic stability of carbonyl and silacarbonyl anions R-M-=O [M = C, Si, R = H, F, Cl, OH, NH2, CH3, N(H)OH]. A comparative ab initio studyREMKO, M.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 6, pp 1113-1116, issn 1463-9076Article

Complexation of divalent metal ions with diols in the presence of anion auxiliary ligands: zinc-induced oxidation of ethylene glycol to glycolaldehyde by consecutive hydride ion and proton shiftsRUTTINK, Paul J. A; DEKKER, Lennard J. M; LUIDER, Theo M et al.Journal of mass spectrometry. 2012, Vol 47, Num 7, pp 869-874, issn 1076-5174, 6 p.Article

Determination of the gas-phase acidity of methylthioacetic acid- using the cooks' kinetic methodJIANHUA REN; PATEL, Chirag G.Journal of the American Society for Mass Spectrometry. 2005, Vol 16, Num 4, pp 535-541, issn 1044-0305, 7 p.Article

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