| 7623 - 7632 |
Multiconfigurational Calculations and Nonadiabatic Molecular Dynamics Explain Tricyclooctadiene Photochemical Chemoselectivity
Li JB, Lopez SA |
| 7633 - 7643 |
Different Dynamics of CH3 and Cl Fragments from Photodissociation of CH3Cl in Clusters
Vinklarek IS, Rakoysky J, Poterya V, Farnik M |
| 7644 - 7657 |
Elucidating the Magnitude of Internal Reorganization Energy of Molecular Excited States from the Perspective of Transition Density
Chen WC, Cheng YC |
| 7658 - 7664 |
Machine Learning Prediction of Electronic Coupling between the Guanine Bases of DNA
Bag S, Aggarwal A, Maiti PK |
| 7665 - 7677 |
Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations
Gorn MV, Gritsan NP, Goldsmith CF, Kiselev VG |
| 7678 - 7684 |
Lanthanide Contraction in Lanthanide Organic Frameworks: A Theoretical and Experimental Study
Silva GS, Dutra JDL, Costa NB, Alves S, Freire RO |
| 7685 - 7691 |
Fluorination Position: A Study of the Optoelectronic Properties of Two Regioisomers Using Spectroscopic and Computational Techniques
Sutton JJ, Li Y, Ryu HS, Tay EJ, Woo HY, Gordon KC |
| 7692 - 7709 |
Density Functional Study on the Fundamental and Valence Excited States of Dibromine in T, P, and H Clathrate Cages
Morera-Boado C, Gamboa-Suarez A, Bernal-Uruchurtu MI, Hernandez-Lamoneda R |
| 7710 - 7715 |
Au3Si4- and Au4Si4: Electronically Equivalent but Different Polarity Superatoms
Koyasu K, Tsuruoka K, Kameoka S, Tsai AP, Tsukuda T |
| 7716 - 7725 |
Relationships between Bond Strength and Spectroscopic Quantities in H-Bonds and Related Halogen, Chalcogen, and Pnicogen Bonds
Lu J, Scheiner S |
| 7726 - 7734 |
Structure and Vibrational Spectra of ArnH+ (n=2-3)
Tan JA, Kuo JL |
| 7735 - 7748 |
Description of Chiral Complexes within Functional-Group Symmetry-Adapted Perturbation Theory-The Case of (S/R)-Carvone with Derivatives of (-)-Menthol
Chojecki M, Rutkowska-Zbik D, Korona T |
| 7749 - 7755 |
Reactivity of Neutral Tantalum Sulfide Clusters Ta3Sn (n=0-4) with N-2
Jiang GD, Mou LH, Chen JJ, Li ZY, He SG |
| 7756 - 7767 |
An Ab Initio Computational Study of Electronic and Structural Factors in the Isomerization of Donor-Acceptor Stenhouse Adducts
Ugandi M, Roemelt M |
| 7768 - 7775 |
Deprotonation of Isoxazole: A Photoelectron Imaging Study
Wallace AA, Dauletyarov Y, Sanov A |
| 7776 - 7794 |
Photophysical Properties and Electronic Structure of Zinc(II) Porphyrins Bearing 0-4 meso-Phenyl Substituents: Zinc Porphine to Zinc Tetraphenylporphyrin (ZnTPP)
Magdaong NCM, Taniguchi M, Diers JR, Niedzwiedzki DM, Kirmaier C, Lindsey JS, Bocian DF, Holten D |
| 7795 - 7804 |
Computation of Molecular Electron Affinities Using an Ensemble Density Functional Theory Method
Filatov M, Lee S, Nakata H, Choi CH |
| 7805 - 7815 |
On the Nature of the Carbonyl versus Phosphoryl Binding in Uranyl Nitrate Complexes
Raychaudhuri D, Gopakumar G, Nagarajan S, Rao CVSB |
| 7816 - 7826 |
Microsolvation of Sodium Thiocyanate in Water: Gas Phase Anion Photoelectron Spectroscopy and Theoretical Calculations
Gong SY, Wang P, Wei ZY, Yang B, Xu XL, Xu HG, Zheng WJ |
| 7827 - 7831 |
Tag-Free, Temperature Dependent Infrared Spectra of the GFP Chromophore: Revisiting the Question of Isomerism
Zagorec-Marks W, Foreman MM, Weber JM |
| 7832 - 7842 |
SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2-KCl Mixtures in the Condensed Phase
Sharma S, Emerson MS, Wu F, Wang HM, Maginn EJ, Margulis CJ |
| 7843 - 7856 |
Comparison of Queueing Data-Structures for Kinetic Monte Carlo Simulations of Heterogeneous Catalysts
Savva GD, Stamatakis M |
