| 12363 - 12368 |
Low-Lying Excited States of C120 and C151 A Multireference Perturbation Theory Study
Sakata T, Kawashima Y, Nakano H |
| 12369 - 12377 |
Dynamics of N-OH Bond Dissociation in Cyclopentanone and Cyclohexanone Oxime at 193 nm Laser-Induced Fluorescence Detection of Nascent OH (upsilon'', J'')
Kawade MN, Saha A, Upadhyaya HP, Kumar A, Naik PD |
| 12378 - 12383 |
Ab Initio Molecular Dynamics Studies of Tetrasulfur Dynamics Coupling the C-2v Open and D-2h Closed Forms of S-4
Ramirez-Solis A, Johbois F, Maron L |
| 12384 - 12390 |
Intrachain Energy Migration to Weak Charge-Transfer State in Polyfluorene End-Capped with Naphthalimide Derivative
Simas ER, Gehlen MH, Pinto MFS, Siqueira J, Misoguti L |
| 12391 - 12402 |
Helix Formation in a Pentapeptide Experiment and Force-field Dependent Dynamics
Hegefeld WA, Chen SE, DeLeon KY, Kuczera K, Jas GS |
| 12403 - 12410 |
Sublimation Rate of TNT Microcrystals in Air
Gershanik AP, Zeiri Y |
| 12411 - 12416 |
Pyrolytic Hydrocarbon Growth from Cyclopentadiene
Kim DH, Mulholland JA, Wang D, Violi A |
| 12417 - 12426 |
Electron Magnetic Resonance and Density Functional Theory Study of Room Temperature X-Irradiated beta-D-Fructose Single Crystals
Tarpan MA, Pauwels E, Vrielinck H, Waroquier M, Callens F |
| 12427 - 12436 |
Photoisomerization and Photochemistry of Matrix-Isolated 3-Furaldehyde
Kus N, Reva I, Fausto R |
| 12437 - 12446 |
(A)over-tilde-(X)over-tilde Absorption of Propargyl Peroxy Radical (H-C =C-CH2OO) A Cavity Ring-Down Spectroscopic and Computational Study
Thomas PS, Kline ND, Miller TA |
| 12447 - 12451 |
Time-Resolved Resonance Raman Studies on Proton-Induced Electron-Transfer Reaction from Triplet Excited State of 2-Methoxynaphthalene to Decafluorobenzophenone
Mohapatra H, Umapathy S |
| 12452 - 12461 |
Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Sulfur Dioxide Ab Initio and DFT Study
Jiang L, Xu YS, Ding AZ |
| 12462 - 12469 |
Atmospheric Chemistry of i-Butanol
Andersen VF, Wallington TJ, Nielsen OJ |
| 12470 - 12478 |
Theoretical Prediction of pK(a) Values of Seleninic, Selenenic, Sulfinic, and Carboxylic Acids by Quantum-Chemical Methods
Ali ST, Karamat S, Kona J, Fabian WMF |
| 12479 - 12489 |
Molecular Modeling of Phenothiazine Derivatives Self-Assembling Properties
Bende A, Grosu I, Turcu I |
| 12490 - 12497 |
Mechanistic Insight into the Gas-Phase Reactions of Methylamine with Ground State Co+(F-3) and Ni+(D-2)
Lu XQ, Wei SX, Guo WY, Wu CML |
| 12498 - 12505 |
Basis Set and Method Dependence in Quantum Theory of Atoms in Molecules Calculations for Covalent Bonds
Jablonski M, Palusiak M |
| 12506 - 12512 |
The Structure of Geminal Imidazolium Bis(trifluoromethylsulfonyl)amide Ionic Liquids A Theoretical Study of the Gas Phase Ionic Complexes
Bodo E, Caminiti R |
| 12513 - 12521 |
Solid-State Density Functional Theory Investigation of the Terahertz Spectra of the Structural Isomers 1,2-Dicyanobenzene and 1,3-Dicyanobenzene
Oppenheim KC, Korter TM, Melinger JS, Grischkowsky D |
| 12522 - 12530 |
Solid State NMR Spectroscopy as a Precise Tool for Assigning the Tautomeric Form and Proton Position in the Intramolecular Bridges of o-Hydroxy Schiff Bases
Jaworska M, Hrynczyszyn PB, Welniak M, Wojtczak A, Nowicka K, Krasinski G, Kassassir H, Ciesielski W, Potrzebowski MJ |
| 12531 - 12539 |
A Computational Investigation of the Nitrogen-Boron Interaction in o-(N,N-Dialkylaminomethyl)arylboronate Systems
Larkin JD, Fossey JS, James TD, Brooks BR, Bock CW |
| 12540 - 12547 |
Molecular and Electronic Structure of delta-Valerothiolactone
Dugarte NY, Erben MF, Boese R, Ge MF, Yao L, Della Vedova CO |
| 12548 - 12554 |
Mechanistic Proposal for the Zeolite Catalyzed Methylation of Aromatic Compounds
Svelle S, Bjorgen M |
