| 11965 - 11968 |
Nonradiative Decay Mechanisms of the Biologically Relevant Tautomer of Guanine
Yamazaki S, Domcke W, Sobolewski AL |
| 11969 - 11971 |
How Important are Temperature Effects for Cluster Polarizabilities?
Gamboa GU, Calaminici P, Geudtner G, Koster AM |
| 11972 - 11974 |
Infrared Multiple Photon Dissociation Spectroscopy of Potassiated Proline
Drayss MK, Blunk D, Oomens J, Schafer M |
| 11975 - 11991 |
Resonance Raman and Resonance Hyper-Raman Intensities: Structure and Dynamics of Molecular Excited States in Solution
Kelley AM |
| 11992 - 11997 |
Boolean and Fuzzy Logic Gates Based on the Interaction of Flindersine with Bovine Serum Albumin and Tryptophan
Gentili PL |
| 11998 - 12006 |
Theoretical Investigation of Molecular Properties of the First Excited State of the Thiophenoxyl Radical
Cheng CW, Lee YP, Witek HA |
| 12007 - 12010 |
Temperature-Induced Route to Chaos in the H2O2-HSO3--S2O32- Flow Reaction System
Rabai G, Szanto TG, Kovacs K |
| 12011 - 12021 |
Structure of Molybdenum and Tungsten Sulfide MxSy+ Clusters: Experiment and DFT Calculations
Patterson MJ, Lightstone JM, White MG |
| 12022 - 12026 |
Intermolecular Proton Binding in the Presence of a Large Electric Dipole: Ar-Tagged Vibrational Predissociation Spectroscopy of the CH3CN center dot H+center dot OH2 and CH3CN center dot D+center dot OD2 Complexes
Gardenier GH, Roscioli JR, Johnson MA |
| 12027 - 12036 |
Molecular Motions and Ion Diffusions of the Room-Temperature Ionic Liquid 1,2-Dimethyl-3-propylimidazolium Bis(trifluoromethylsulfonyl)amide (DMPImTFSA) Studied by H-1, C-13, and F-19 NMR
Hayamizu K, Tsuzuki S, Seki S |
| 12037 - 12044 |
Vibrational Analysis of I(2)(center dot)(center dot-)nCO(2) Clusters (n=1-10): A First Principle Study on Microsolvation
Pathak AK, Mukherjee T, Maity DK |
| 12045 - 12053 |
Laser Flash Photolysis and Magnetic Field Effect Studies on the Interaction of Uracil and Its Derivatives with Menadione and 9,10-Anthraquinone
Bose A, Basu S |
| 12054 - 12065 |
Photoinduced Processes in Riboflavin: Superposition of pi pi*-n pi* States by Vibronic Coupling, Transfer of Vibrational Coherence, and Population Dynamics under Solvent Control
Weigel A, Dobryakov AL, Veiga M, Lustres JLP |
| 12066 - 12070 |
Reaction Kinetics Study of Short DNA Strands Using a Maximum Entropy Method and Nonlinear Curve Fitting
Kim T, Lee JE, Lee S, Kim SY, Kim SW |
| 12071 - 12080 |
Infrared Spectra of Metallacyclopropane, Insertion, and Dihydrido Complex Products in Reactions of Laser-Ablated Group 6 Metal Atoms with Ethylene Molecules
Cho HG, Andrews L |
| 12081 - 12089 |
Time-Resolved Studies of CN Radical Reactions and the Role of Complexes in Solution
Crowther AC, Carrier SL, Preston TJ, Crim FF |
| 12090 - 12096 |
Terahertz Absorption of DNA Decamer Duplex
Li XW, Globus T, Gelmont B, Salay LC, Bykhovski A |
| 12097 - 12103 |
Generation and Dissociation Pathways of Singly and Doubly Protonated Bisguanidines in the Gas Phase
Tintaru A, Roithova J, Schroder D, Charles L, Jusinski I, Glasovac Z, Eckert-Maksic M |
| 12104 - 12108 |
Isoelectronic Series of Oxygen Deficient Centers in Silica: Experimental Estimation of Homogeneous and Inhomogeneous Spectral Widths
D'Amico M, Messina F, Cannas M, Leone M, Boscaino R |
| 12109 - 12116 |
FTIR Analysis of Dimethyl Ether Decomposition Products Following Charge Transfer Ionization with Ar+ under Matrix Isolation Conditions
Thompson MGK, Parnis JM |
| 12117 - 12124 |
Unimolecular Reactions of CF2ClCFClCH2F and CF2ClCF2CH2Cl: Observation of CIF Interchange
Zaluzhna O, Simmons JG, Setser DW, Holmes BE |
| 12125 - 12131 |
Theoretical Studies on Low-Lying Electronic States of Cyanocarbene HCCN and Its Ionic States
Zhao ZX, Zhang HX, Sun CC |
| 12132 - 12139 |
Structure Revision of Hassananes with Use of Quantum Mechanical C-13 NMR Chemical Shifts and UV-Vis Absorption Spectra
Yang J, Huang SX, Zhao QS |
| 12140 - 12142 |
Kinetics and Mechanisms of the Homogeneous, Unimolecular Gas-Phase Elimination of Trimethyl Orthoacetate and Trimethyl Orthobutyrate
Marquez E, Dominguez R, Tosta M, Chuchani G |
| 12143 - 12150 |
Uptake of Gas-Phase Nitrous Acid by pH-Controlled Aqueous Solution Studied by a Wetted Wall Flow Tube
Hirokawa J, Kato T, Mafune F |
| 12151 - 12156 |
Toward a Consistent Treatment of Polarization in Model QM/MM Calculations
Illingworth CJR, Parkes KEB, Snell CR, Ferenczy GG, Reynolds CA |
| 12157 - 12163 |
Assessing the Role of Polarization in Docking
Illingworth CJR, Morris GM, Parkes KEB, Snell CR, Reynolds CA |
| 12164 - 12171 |
Intrinsic Nucleofugality Scale within the Framework of Density Functional Reactivity Theory
Broeckaert L, Moens J, Roos G, De Proft F, Geerlings P |
| 12172 - 12178 |
Theoretical Study on Photophysical Properties of Multifunctional Electroluminescent Molecules with Different pi-Conjugated Bridges
Zou LY, Ren AM, Feng JK, Liu YL, Ran XQ, Sun CC |
| 12179 - 12186 |
New Insights into the Chemical and Electronic Properties of C69M [M = In-, Tl-, Sb+, Bi+] Species
Simeon T, Balasubramanian K, Leszczynski J |
| 12187 - 12195 |
Electronic Structure of Germanium Monohydrides GenH, n=1-3
Gopakumar G, Ngan VT, Lievens P, Nguyen MT |
| 12196 - 12202 |
A DFT Study on the Radical Scavenging Activity of Maritimetin and Related Aurones
Nenadis N, Sigalas MP |
| 12203 - 12207 |
Molecular Design of Porphyrin-Based Nonlinear Optical Materials
Keinan S, Therien MJ, Beratan DN, Yang WT |
| 12208 - 12219 |
DFT Analysis of g and C-13 Hyperfine Coupling Tensors for Model Ni-I(CO)(n)L-m (n=1-4, L = H2O, OH-) Complexes Epitomizing Surface Nickel(I) Carbonyls
Pietrzyk P, Podolska K, Sojka Z |
| 12220 - 12227 |
Conformation-Specific Raman Bands and Electronic Conjugation in Substituted Thioanisoles
Yamakita Y, Okazaki T, Ohno K |
| 12228 - 12234 |
Density Functional Theory Calculations of Pressure Effects on the Vibrational Structure of alpha-RDX
Miao MS, Dreger ZA, Winey JM, Gupta YM |
| 12235 - 12251 |
First Principles Based Group Additive Values for the Gas Phase Standard Entropy and Heat Capacity of Hydrocarbons and Hydrocarbon Radicals
Sabbe MK, De Vleeschouwer F, Reyniers MF, Waroquier M, Marin GB |
| 12252 - 12262 |
Reaction Mechanism of HCN+ + C2H4: A Theoretical Study
Li Y, Liu HL, Huang XR, Wang D, Sun CC, Tang AC |
| 12263 - 12269 |
Experimental and Computational Study on the Molecular Energetics of Indoline and Indole
da Silva MAVR, Cabral JITA, Gomes JRB |
| 12270 - 12280 |
Electronic Structure Studies on Deprotonation of Dithiophosphinic Acids in Water Clusters
Dinescu A, Benson MT |
| 12281 - 12292 |
Structure and Electronic Characteristics of Coronoid Polycyclic Aromatic Hydrocarbons as Potential Models of Graphite Layers with Hole Defects
Dias JR |
