| 13211 - 13241 |
Review on Modified TiO2 Photocatalysis under UV/Visible Light: Selected Results and Related Mechanisms on Interfacial Charge Carrier Transfer Dynamics
Kumar SG, Devi LG |
| 13242 - 13250 |
Photophysics of the Interaction between a Fluorescein Derivative and Ficoll
Paredes JM, Crovetto L, Orte A, Lopez SG, Talavera EM, Alvarez-Pez JM |
| 13251 - 13258 |
Investigation of Dynamics of Radiolytic Formation of CdSe Nanoparticles in Aqueous Solutions
Singh S, Rath MC, Sarkar SK |
| 13259 - 13268 |
Structure of Neutral Nanosized Clusters Produced by Coexpansion of CF4 and CH4
Winkler M, Harnes J, Borve KJ |
| 13269 - 13280 |
Molecular-Dynamics-Based Study of the Collisions of Hyperthermal Atomic Oxygen with Graphene Using the ReaxFF Reactive Force Field
Srinivasan SG, van Duin ACT |
| 13281 - 13290 |
S-0 and S-1 State Structure, Methyl Torsional Barrier Heights, and Fast Intersystem Crossing Dynamics of 5-Methyl-2-hydroxypyrimidine
Lobsiger S, Frey HM, Leutwyler S, Morgan P, Pratt D |
| 13291 - 13297 |
Detailed Mechanism for Photoinduced Cytosine Dimerization: A Semiclassical Dynamics Simulation
Yuan SA, Zhang WY, Liu LH, Dou YS, Fang WH, Lo GV |
| 13298 - 13308 |
Conformationally Dynamic pi-Conjugation: Probing Structure-Property Relationships of Fluorescent Tris(N-salicylideneaniline)s
Vieweger M, Jiang X, Lim YK, Jo J, Lee D, Dragnea B |
| 13309 - 13315 |
Quantum Wave Packet Propagation Study of the Photochemistry of Phenol: Isotope Effects (Ph-OD) and the Direct Excitation to the (1)pi sigma* State
An H, Baeck KK |
| 13316 - 13323 |
Structural Optimization of Cu-Ag-Au Trimetallic Clusters by Adaptive Immune Optimization Algorithm
Wu X, Wu GH, Chen YC, Qiao YY |
| 13324 - 13331 |
The Conversion Process of Hydrocarbon Hydrates into CO2 Hydrates and Vice Versa: Thermodynamic Considerations
Schicks JM, Luzi M, Beeskow-Strauch B |
| 13332 - 13337 |
Photochromic Properties of [2.2]Paracyclophane-Bridged Imidazole Dimer with Increased Photosensitivity by Introducing Pyrenyl Moiety
Yamashita H, Abe J |
| 13338 - 13345 |
A Mechanistic Approach to the Kinetics of Oxidation of Uranium(IV) by Hexachloroplatinate(IV) in Aqueous Perchlorate Solutions. Evidence of the Formation of a Binuclear Intermediate Complex
Hassan RM |
| 13346 - 13355 |
Conformation Resolved Induced Infrared Activity: trans- and cis- Formic Acid Isolated in Solid Molecular Hydrogen
Paulson LO, Anderson DT, Lundell J, Marushkevich K, Melavuori M, Khriachtchev L |
| 13356 - 13363 |
Theoretical Study on the Chiroptical Optical Properties of Chiral Fullerene C-60 Derivative
Yang GC, Si YL, Su ZM |
| 13364 - 13369 |
Reaction Products and Kinetics of the Reaction of NO2 with gamma-Fe2O3
Hixson BC, Jordan JW, Wagner EL, Bevsek HM |
| 13370 - 13380 |
Effects of Various Boundary Conditions on the Response of Poisson-Nernst-Planck Impedance Spectroscopy Analysis Models and Comparison with a Continuous-Time Random-Walk Model
Macdonald JR |
| 13381 - 13389 |
Thermal Decomposition Mechanisms of the Methoxyphenols: Formation of Phenol, Cyclopentadienone, Vinylacetylene, and Acetylene
Scheer AM, Mukarakate C, Robichaud DJ, Nimlos MR, Ellison GB |
| 13390 - 13398 |
Synthesis, Characterization, and Spectroscopic Investigation of Benzoxazole Conjugated Schiff Bases
Santos FS, Costa TMH, Stefani V, Goncalves PFB, Descalzo RR, Benvenutti EV, Rodembusch FS |
| 13399 - 13406 |
Cr3+-Doped Fluorides and Oxides: Role of Internal Fields and Limitations of the Tanabe-Sugano Approach
Trueba A, Garcia-Lastra JM, Garcia-Fernandez P, Aramburu JA, Barriuso MT, Moreno M |
| 13407 - 13412 |
Filament-Driven Impulsive Raman Spectroscopy
Odhner JH, McCole ET, Levis RJ |
| 13413 - 13419 |
Kinetic Analysis of One-Step Solid-State Reaction for Li4Ti5O12/C
Hu XB, Lin ZJ, Yang KR, Deng ZH |
| 13420 - 13424 |
X-ray Absorption near Edge Structure and Extended X-ray Absorption Fine Structure Analysis of Fe(II) Aqueous and Acetone Solutions
Olszewski W, Szymanski K, Zaleski P, Zajac DA |
| 13425 - 13442 |
High-Pressure Rate Rules for Alkyl + O-2 Reactions. 1. The Dissociation, Concerted Elimination, and Isomerization Channels of the Alkyl Peroxy Radical
Villano SM, Huynh LK, Carstensen HH, Dean AM |
| 13443 - 13451 |
Thermochemistry of Halomethanes CFnBr4-n (n=0-3) Based on iPEPICO Experiments and Quantum Chemical Computations
Bodi A, Kvaran A, Sztaray B |
| 13452 - 13466 |
Reaction Mechanism of Cl-2 and 1-Alkyl-3-methylimidazolium Chloride Ionic Liquids
Hu SW, Wang ZX, Qu F, Chu TW, Wang XY |
| 13467 - 13473 |
Branching Fractions of the CN+C3H6 Reaction Using Synchrotron Photoionization Mass Spectrometry: Evidence for the 3-Cyanopropene Product
Trevitt AJ, Soorkia S, Savee JD, Selby TS, Osborn DL, Taatjes CA, Leone SR |
| 13474 - 13481 |
Microwave Spectrum and Conformational Composition of 2-Chloroethylisocyanide
Mollendal H, Samdal S, Guillemin JC |
| 13482 - 13488 |
Spectroscopy and Fragmentation of Undercoordinated Bromoiridates
Marcum JC, Krylov AI, Weber JM |
| 13489 - 13497 |
Mechanical and Kinetic Studies of the Formation of Polyhalogenated Dibenzo-p-dioxins from Hydroxylated Polybrominated Diphenyl Ethers and Chlorinated Derivatives
Cao HJ, He MX, Sun YH, Han DD |
| 13498 - 13503 |
7,7,8,8-Tetracyanoquinodimethane-Based Molecular Dopants for p-Type Doping of OLEDs: A Theoretical Investigation
Cosimbescu L, Padmaperuma AB, Gaspar DJ |
| 13504 - 13512 |
Thermal and Solvent Effects On NMR Indirect Spin-Spin Coupling Constants of a Prototypical Chagas Disease Drug
Ramalho TC, Pereira DH, Thiel W |
| 13513 - 13522 |
Electron Localization Function Study on Intramolecular Electron Transfer in the QTTFQ and DBTTFI Radical Anions
Kalinowski J, Berski S, Gordon AJ |
| 13523 - 13533 |
Theoretical Study on the Alkaline Hydrolysis of Methyl Thioacetate in Aqueous Solution
Fu CW, Lin TH |
| 13534 - 13541 |
Computational Study of the Reaction Mechanism of the Methylperoxy Self-Reaction
Liang YN, Li J, Wang QD, Wang F, Li XY |
| 13542 - 13555 |
Cross-Linking Mechanisms of Arginine and Lysine with alpha,beta-Dicarbonyl Compounds in Aqueous Solution
Nasiri R, Field MJ, Zahedi M, Moosavi-Movahedi AA |
| 13556 - 13563 |
Theoretical Study of Pyridoxine (Vitamin B6) Photolysis
Wu M, Xu Q, Strid A, Martell JM, Eriksson LA |
| 13564 - 13572 |
Quantum Chemical Study of Redox-Switchable Second-Order Nonlinear Optical Responses of D-pi-A System BNbpy and Metal Pt(II) Chelate Complex
Ma NN, Sun SL, Liu CG, Sun XX, Qiu YQ |
| 13573 - 13580 |
CCSD(T) Study of Dimethyl-Ether Infrared and Raman Spectra
Villa M, Senent ML, Dominguez-Gomez R, Alvarez-Bajo O, Carvajal M |
| 13581 - 13588 |
Theoretical Study on the Reaction Mechanism of NH2- with O-2 (a(1)Delta(g))
Lin HX, Chen GH, Liu HL, Li D, Huang XC, Liu WG, Jiao YQ |
| 13589 - 13595 |
pi Back-Bonding of Iron(II) Complexes Supported by Tris(pyrid-2-ylmethyl)amine and Its Nitro-Substituted Derivatives
Furukawa S, Hitomi Y, Shishido T, Teramura K, Tanaka T |
| 13596 - 13604 |
Intermediate-Spin State of a 3d Ion in the Octahedral Environment and Generalization of the Tanabe-Sugano Diagrams
Lamonova KV, Zhitlukhina ES, Babkin RY, Orel SM, Ovchinnikov SG, Pashkevich YG |
| 13605 - 13610 |
Molecular Dynamics Study of the Response of Nanostructured Al/Ni Clad Particles System under Thermal Loading
Wu HZ, Zhao SJ |
| 13611 - 13618 |
Theoretical Design of a Light-Driven Molecular Rotary Motor with Low Energy Helical Inversion: 9-(5-Methyl-2-phenyl-2-cyclopenten-1-ylidene)-9H-fluorene
Amatatsu Y |
| 13619 - 13627 |
Valence-Bond Determination of Bond Lengths of Polycyclic Aromatic Hydrocarbons: Comparisons with Recent Experimental and Ab Initio Results
Dias JR |
| 13628 - 13641 |
Theoretical Studies on Thermochemistry for Conversion of 5-Chloromethylfurfural into Valuable Chemicals
Liu G, Wu JM, Zhang IY, Chen ZN, Li YW, Xu X |
| 13642 - 13648 |
Specific Interactions in Complexes Formed by DNA and Conducting Polymer Building Blocks: Guanine and 3,4-(Ethylenedioxy)thiophene
Preat J, Teixeira-Dias B, Michaux C, Perpete EA, Aleman C |
| 13649 - 13656 |
Effect on Ring Current of the Kekule Vibration in Aromatic and Antiaromatic Rings
Bean DE, Fowler PW |
| 13657 - 13663 |
H-Bond Network in Amino Acid Cocrystals with H2O or H2O2. The DFT Study of Serine-H2O and Serine-H2O2
Vener MV, Medvedev AG, Churakov AV, Prikhodchenko PV, Tripol'skaya TA, Lev O |
| 13664 - 13672 |
Explicitly Correlated Coupled Cluster Calculations for the Benzenium Ion (C6H7+) and Its Complexes with Ne and Ar
Botschwina P, Oswald R |
| 13673 - 13683 |
Molecular Modeling of Hydrotalcite Structure Intercalated with Transition Metal Oxide Anions: CrO42- and VO43-
Murthy V, Smith HD, Zhang H, Smith SC |
| 13684 - 13693 |
Assessing the Polycyclic Aromatic Hydrocarbon Anisotropic Potential with Application to the Exfoliation Energy of Graphite
Totton TS, Misquitta AJ, Kraft M |
| 13694 - 13705 |
Computational Insight into the Carbenic Character of Nitrilimines from a Reactivity Perspective
Muchall HM |
| 13706 - 13713 |
Theoretical Investigation of Raman Optical Activity Signatures of Troger's Base
Liegeois V, Champagne B |
| 13714 - 13723 |
Electronic Properties of Hydrogen-Bonded Complexes of Benzene(HCN)(1-4): Comparison with Benzene(H2O)(1-4)
Mateus MPS, Galamba N, Cabral BJC |
| 13724 - 13731 |
Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2 (X = H, CH3, NH2, OH, F, Cl)
Del Bene JE, Alkorta I, Sanchez-Sanz G, Elguero J |
