| 3963 - 3975 |
How Collective Phenomena Impact CO2 Reactivity and Speciation in Different Media
Polino D, Grifoni E, Rousseau R, Parrinello M, Glezakou VA |
| 3976 - 3983 |
Understanding the Role of Aromaticity and Conformational Changes in Bond Dissociation Processes of Photo-Protecting Groups
Halder D, Paul A |
| 3984 - 3992 |
Time-Resolved Photoelectron Spectroscopy Studies of Isoxazole and Oxazole
Geng T, Ehrmaier J, Schalk O, Richings GW, Hansson T, Worth G, Thomas RD |
| 3993 - 4005 |
Disproportionation Channel of the Self-reaction of Hydroxyl Radical, OH plus OH -> H2O + O, Revisited
Zhang XK, Sangwan M, Yan C, Koshlyakov PV, Chesnokov EN, Bedjanian Y, Krasnoperov LN |
| 4006 - 4014 |
Rate Constants for Reactions of HCCO and HCCCO Radicals with O-2 over the Temperature Range 243-423 K
Teramoto T, Washida N, Imamura T, Inomata S |
| 4015 - 4024 |
Direct Trace Fitting of Experimental Data Using the Master Equation: Testing Theory and Experiments on the OH + C2H4 Reaction
Medeiros DJ, Robertson SH, Blitz MA, Seakins PW |
| 4025 - 4035 |
Experimental and Theoretical Soft X-ray Study of Nicotine and Related Compounds
Sa'adeh H, Backler F, Wang F, Piccirillo S, Ciavardini A, Richter R, Coreno M, Prince KC |
| 4036 - 4047 |
Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations
Vitek A, Arismendi-Arrieta DJ, Sarmanova M, Kalus R, Prosmiti R |
| 4048 - 4052 |
Vibrational Partition Function for the Multitemperature Theories of High-Temperature Flows of Gases and Plasmas
Buchowiecki M |
| 4053 - 4061 |
Bayesian Optimization for Calibrating and Selecting Hybrid-Density Functional Models
Vargas-Hernandez RA |
| 4062 - 4067 |
Time-Dependent Perspective for the Intramolecular Couplings of the N-H Stretches of Protonated Tryptophan
Kaiser A, Jayee B, Yao YX, Ma XY, Wester R, Hase WL |
| 4068 - 4080 |
Density Functional Theory Investigation of the Binding of ThioTEPA to Purine Bases: Thermodynamics and Bond Evolution Theory Analysis
Cherni E, Adjieufack AI, Champagne B, Abderrabba M, Ayadi S, Liegeois V |
| 4081 - 4086 |
Vibrational Bands of the 2-Butyn-1-yl Radical
Brown GJ, Ellis MJ, Martin TD, McCunn LR |
| 4087 - 4094 |
Charge-Sensitive Cluster-pi Interactions Cause Altered Reactivity of Al-n(+/-,0) Clusters with Benzene: Enhanced Stability of Al(13)(+)Bz
Yang MZ, Zhang HY, Jia YH, Yin BQ, Luo ZX |
| 4095 - 4105 |
Low-Lying Electronic States of FeGen-/0 (n=1-3) Clusters Calculated with Multireference Second-Order Perturbation Theory
Tran VT, Tran QT |
| 4106 - 4114 |
Photochemical Generation of Benzoazetinone by UV Excitation of Matrix-Isolated Precursors: Isatin or Isatoic Anhydride
Rostkowska H, Lapinski L, Nowak MJ |
| 4115 - 4127 |
Experimental and Theoretical Photoemission Study of Indole and Its Derivatives in the Gas Phase
Plekan O, Sa'adeh H, Ciavardini A, Callegari C, Cautero G, Dri C, Di Fraia M, Prince KC, Richter R, Sergo R, Stebel L, Devetta M, Facciala D, Vozzi C, Avaldi L, Bolognesi P, Castrovilli MC, Catone D, Coreno M, Zuccaro F, Bernes E, Fronzoni G, Toffoli D, Ponzi A |
| 4128 - 4140 |
Attracting Opposites: Promiscuous Ion-pi Binding in the Nucleobases
Ernst BG, Lao KU, Sullivan AG, DiStasio RA |
| 4141 - 4149 |
Proton Transfer in Phosphoric Acid-Based Protic Ionic Liquids: Effects of the Base
Zhu ZH, Luo XB, Sokolov AP, Paddison SJ |
| 4150 - 4159 |
Water-Mediated Peptide Bond Formation in the Gas Phase: A Model Prebiotic Reaction
Gale AG, Odbadrakh TT, Ball BT, Shields GC |
| 4160 - 4170 |
Total Internal Reflection Transient Absorption Microscopy: An Online Detection Method for Microfluidics
Colon BA, Hassan MR, Saleheen A, Baker CA, Calhoun TR |
| 4171 - 4181 |
Prediction of Solvation Free Energies of Ionic Solutes in Neutral Solvents
Kroger LC, Muller S, Smirnova I, Leonhard K |
