| 8485 - 8495 |
Calculation of Free-Energy Barriers with TD-DFT: A Case Study on Excited-State Proton Transfer in Indigo
Fang CF, Durbeej B |
| 8496 - 8505 |
Inelastic Collisions of O-2 with He at Low Temperatures
Gamez F, Fernandez JM, Moreno E, Tejeda G, Hernandez MI, Montero S |
| 8506 - 8526 |
Theoretical, Experimental, and Modeling Study of the Reaction of Hydrogen Atoms with 1-and 2-Pentene
Power J, Somers KP, Zhou CW, Peukert S, Curran HJ |
| 8527 - 8535 |
Competing Molecular and Radical Pathways in the Dissociation of Halons via Direct Chemical Dynamics Simulations
Godara S, Paranjothy M |
| 8536 - 8541 |
Ion Momentum Imaging Study of the Ion-Molecule Charge Exchange Reaction of Ar+ + CO2
Wu CX, Hu J, He MM, Tian SX |
| 8542 - 8551 |
On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulation
Spezia R, Dammak H |
| 8552 - 8561 |
Photodissociation Dynamics and Stereodynamics of Methyl Mercaptan and Dimethyl Sulfide from the Second Absorption Band at 201 and 210 nm
Chicharro DV, Poullain SM, Rubio-Lago L, Banares L |
| 8562 - 8570 |
Vibrational Autodetachment from Anionic Nitroalkane Chains: From Molecular Signatures to Thermionic Emission
Adams CL, Hansen K, Weber JM |
| 8571 - 8582 |
Correlations between Fukui Indices and Reactivity Descriptors Based on Sanderson's Principle
Sanchez-Marquez J |
| 8583 - 8594 |
Dealing with Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches
Batista PR, Karas LJ, Viesser RV, de Oliveira CC, Goncalves MB, Tormena CF, Rittner R, Ducati LC, de Oliveira PR |
| 8595 - 8606 |
Importance of Nitrogen-Hydrogen Bond pKa in the Catalytic Coupling of Alkenes and Amines by Amidate Tantalum Complexes: A Computational Study
Nazemi A, Cundari TR |
| 8607 - 8618 |
Chiral Self Recognition: Interactions in Propylene Oxide Complexes
Hemmati R, Patkowski K |
| 8619 - 8631 |
Systematic First-Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si2H2n (n=1-3)
Bhattacharyya P, Rai DK, Shukla A |
| 8632 - 8643 |
A Comprehensive Topological Analysis on a New Bromine-Chalcone with Potential Nonlinear Optical Properties
de Paula RLG, Duarte VS, Fernandes FS, Vaz WF, Ribeiro IN, Osorio FAP, Valverde C, Oliveira GR, Napolitano HB |
| 8644 - 8649 |
Tuning the Optical Properties of Novel Antitumoral Drugs Based on Cyclometalated Iridium(III) Complexes
Ceron-Carrasco JP, Zuniga J, Requena A |
| 8650 - 8656 |
A Comprehensive Picture of the Structures, Energies, and Bonding in [SO4(H2O)(n)](2-) n=1-6
Acelas N, Florez E, Hadad C, Merino G, Restrepo A |
| 8657 - 8673 |
Probing the Partial Activation of Water by Open-Shell Interactions, Cl(H2O)(1-4)
Christensen EG, Steele RP |
| 8674 - 8689 |
Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes)
Durka K, Gorski B, Blocki K, Urban M, Wozniak K, Barbasiewicz M, Lulinski S |
| 8690 - 8695 |
Indium Dopant Concentration Effects on Zinc Oxide Nanowires
Farid S, Mukherjee S, Sarkar K, Stroscio MA, Dutta M |
| 8696 - 8701 |
Reactivity of Carbon Molecular Clusters from a Huckel-Type Model
Cedillo A, Cardenas C |
| 8702 - 8708 |
Millimeter/Submillimeter Spectroscopic Detection of Desorbed Ices: A New Technique in Laboratory Astrochemistry
Yocum KM, Smith HH, Todd EW, Mora L, Gerakines PA, Milam SN, Weaver SLW |
| 8709 - 8716 |
High-Repetition Rate Broadband Pump-Probe Microscopy
Piland G, Grumstrup EM |
| 8717 - 8725 |
Rate/Concentration Kinetic Petals: A Transient Method to Examine the Interplay of Surface Reaction Processes
Wang YX, Kunz MR, Constales D, Yablonsky G, Fushimi R |
| 8726 - 8733 |
Method for the Calculation of the Hamaker Constants of Organic Materials by the Lifshitz Macroscopic Approach with Density Functional Theory
Takagishi H, Masuda T, Shimoda T, Maezono R, Hongo K |
| 8734 - 8743 |
Multilayer Divide-Expand-Consolidate Coupled-Cluster Method: Demonstrative Calculations of the Adsorption Energy of Carbon Dioxide in the Mg-MOF-74 Metal-Organic Framework
Barnes AL, Bykov D, Lyakh DI, Straatsma TP |
| 8744 - 8744 |
Ion-Pair Complexes of Pyrylium and Tetraarylborate as New Host-Guest Dyes: Photoinduced Electron Transfer Promoting Radical Polymerization (vol 123, pg 7374, 2019)
Santos WG, Budkina DS, Santagneli SH, Tarnovsky AN, Zukerman-Schpector J, Ribeiro SJL |
