| 333 - 338 |
Molecular Rotation-Vibration Dynamics of Low-Symmetric Hydrate Crystal in the Terahertz Region
Fu XJ, Wu HY, Xi XQ, Zhou J |
| 339 - 349 |
Effect of Amino Group Charge on the Photooxidation Kinetics of Aromatic Amino Acids
Saprygina NN, Morozova OB, Grampp G, Yurkovskaya AV |
| 350 - 357 |
Light-Induced Opening and Closing of the Intramolecular Hydrogen Bond in Glyoxylic Acid
Olbert-Majkut A, Lundell J, Wierzejewska M |
| 358 - 368 |
Ab initio Theoretical Study on the 4f(2) and 4f5d Electronic Manifolds of Cubic Defects in CaF2:Pr3+
Krosnicki M, Kedziorski A, Seijo L, Barandiaran Z |
| 369 - 379 |
Cu(II)- and Mn(III)-Porphyrin-Derived Oligomeric Multianions: Structures and Photoelectron Spectra
Schwarz U, Vonderach M, Armbruster MK, Fink K, Kappes MM, Weis P |
| 380 - 387 |
Vibrational Shifts of HXeCl in Matrix Environments
Niimi K, Nakayama A, Ono Y, Taketsugu T |
| 388 - 395 |
Multiple Detachment of the SF6- Molecular Anion with Shaped Intense Laser Pulses
Albeck Y, Kandhasamy DM, Strasser D |
| 396 - 403 |
Toward a Better Understanding of Fe(III)-EDDS Photochemistry: Theoretical Stability Calculation and Experimental Investigation of 4-tert-Butylphenol Degradation
Wu YL, Brigante M, Dong WB, de Sainte-Claire P, Mailhot G |
| 404 - 416 |
Imaging and Scattering Studies of the Unimolecular Dissociation of the BrCH2CH2O Radical from BrCH2CH2ONO Photolysis at 351 nm
Wang L, Lam CS, Chhantyal-Pun R, Brynteson MD, Butler LJ, Miller TA |
| 417 - 426 |
Using Terahertz Spectroscopy and Solid-State Density Functional Theory to Characterize a New Polymorph of 5-(4-pyridyl)tetrazole
Pellizzeri S, Delaney SP, Korter TM, Zubieta J |
| 427 - 440 |
First Ring Formation by Radical Addition of Propargyl to But-1-ene-3-yne in Combustion. Theoretical Study of the C7H7 Radical System
Trogolo D, Maranzana A, Ghigo G, Tonachini G |
| 441 - 448 |
Heterogeneous Interaction of H2O2 with Arizona Test Dust
El Zein A, Romanias MN, Bedjanian Y |
| 449 - 456 |
New Understanding of the Formation of PCDD/Fs from Chlorophenol Precursors: A Mechanistic and Kinetic Study
Zhang YF, Zhang DJ, Gao J, Zhan JH, Liu CB |
| 457 - 466 |
Products of the OH Radical-Initiated Reactions of Furan, 2-and 3-Methylfuran, and 2,3-and 2,5-Dimethylfuran in the Presence of NO
Aschmann SM, Nishino N, Arey J, Atkinson R |
| 467 - 474 |
Position-Specific and Clumped Stable Isotope Studies: Comparison of the Urey and Path-Integral Approaches for Carbon Dioxide, Nitrous Oxide, Methane, and Propane
Webb MA, Miller TF |
| 475 - 486 |
Engineering Frontier Energy Levels in Donor-Acceptor Fluoren-9-ylidene Malononitriles versus Fluorenones
Homnick PJ, Tinkham JS, Devaughn R, Lahti PM |
| 487 - 494 |
In Quest of Strong Be-Ng Bonds among the Neutral Ng-Be Complexes
Pan S, Moreno D, Cabellos JL, Romero J, Reyes A, Merino G, Chattaraj PK |
| 495 - 502 |
Molecule-Optimized Basis Sets and Hamiltonians for Accelerated Electronic Structure Calculations of Atoms and Molecules
Gidofalvi G, Mazziotti DA |
| 503 - 507 |
Gauche Preference of beta-Fluoroalkyl Ammonium Salts
Silla JM, Silva WGDP, Cormanich RA, Rittner R, Tormena CF, Freitas MP |
| 508 - 516 |
Structural Exploration of Water, Nitrate/Water, and Oxalate/Water Clusters with Basin-Hopping Method Using a Compressed Sampling Technique
Liu YR, Wen H, Huang T, Lin XX, Gai YB, Hu CJ, Zhang WJ, Huang W |
| 517 - 525 |
Time-Dependent Density Functional Methods for Raman Spectra in Open-Shell Systems
Aquino FW, Schatz GC |
| 526 - 532 |
Lone Pairs: An Electrostatic Viewpoint
Kumar A, Gadre SR, Mohan N, Suresh CH |
| 533 - 533 |
Near-Infrared Surface-Enhanced Raman Spectroscopy (NIR-SERS) for the Identification of Eosin Y: Theoretical Calculations and Evaluation of Two Different Nanoplasmonic Substrates (vol 116, pg 11863, 2012)
Greeneltch NG, Davis AS, Valley NA, Casadio F, Schatz GC, Van Duyne RP, Shah NC |
