| 235 - 252 |
Accurate and Efficient Quantum Chemistry Calculations for Noncovalent Interactions in Many-Body Systems: The XSAPT Family of Methods
Lao KU, Herbert JM |
| 253 - 262 |
Molecular Excited States: Accurate Calculation of Relative Energies and Electronic Coupling Between Charge Transfer and Non-Charge Transfer States
Veldkamp BS, Liu XL, Wasielewski MR, Subotnik JE, Ratner MA |
| 263 - 270 |
Terahertz Spectroscopy of 2,4-Dinitrotoluene over a Wide Temperature Range (7-245 K)
Lepodise LM, Horvat J, Lewis RA |
| 271 - 280 |
Effects of Molecular Symmetry on Quantum Reaction Dynamics: Novel Aspects of Photoinduced Nonadiabatic Dynamics
Al-Jabour S, Leibscher M |
| 281 - 289 |
Evolution of Silver Nanoparticles in the Rat Lung Investigated by X-ray Absorption Spectroscopy
Davidson RA, Anderson DS, Van Winkle LS, Pinkerton KE, Guo T |
| 290 - 298 |
Structural and Spectroscopic Properties of Methanediol in Aqueous Solutions from Quantum Chemistry Calculations and Ab Initio Molecular Dynamics Simulations
Delcroix P, Pagliai M, Cardini G, Begue D, Hanoune B |
| 299 - 311 |
Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for Singlet Fission?
Alguire EC, Subotnik JE, Damrauer N |
| 312 - 322 |
Infrared Matrix Isolation and Theoretical Studies of Reactions of Ozone with Bicyclic Alkenes: alpha-Pinene, Norbornene, and Norbornadiene
Kugel RW, Ault BS |
| 323 - 333 |
Acid-Base Strength and Acidochromism of Some Dimethylamino-Azinium Iodides. An Integrated Experimental and Theoretical Study
Benassi E, Carlotti B, Fortuna CG, Barone V, Elisei F, Spalletti A |
| 334 - 343 |
Deprotonated Purine Dissociation: Experiments, Computations, and Astrobiological Implications
Cole CA, Wang ZC, Snow TP, Bierbaum VM |
| 344 - 351 |
Quantitative Evidence for Organic Peroxy Radical Photochemistry at 254 nm
Klems JP, Lippa KA, McGivern WS |
| 352 - 368 |
Molecular Dynamics Simulations of 1-Ethyl-3-methylimidazolium Bis[(trifluoromethyl)sulfonyl]imide Clusters and Nanodrops
Prince BD, Tiruppathi P, Bemish RJ, Chiu YH, Maginn EJ |
| 369 - 376 |
Accurate Standard Hydrogen Electrode Potential and Applications to the Redox Potentials of Vitamin C and NAD/NADH
Matsui T, Kitagawa Y, Okumura M, Shigeta Y |
| 377 - 382 |
Ab Initio Study of Guanine Damage by Hydroxyl Radical
Chaban GM, Wang DY, Huo WM |
| 383 - 394 |
Experimental and Theoretical Studies on Halide Binding with a p-Xylyl-Based Azamacrocycle
Ahmed L, Rhaman MM, Mendy JS, Wang J, Fronczek FR, Powell DR, Leszczynski J, Hossain MA |
| 395 - 402 |
Gas-Phase Acidities of Nitrated Azoles as Determined by the Extended Kinetic Method and Computations
Nichols CM, Old WM, Lineberger WC, Bierbaum VM |
| 403 - 409 |
Counterion and Substrate Effects on Barrier Heights of the Hydrolytic Kinetic Resolution of Terminal Epoxides Catalyzed by Co(III)-salen
Kennedy MR, Burns LA, Sherrill CD |
| 410 - 417 |
Vibrational Spectra, Theoretical Calculations, and Two-Dimensional Potential Energy Surface for the Ring-Puckering Vibrations of 2,4,7-Trioxa[3.3.0]octane
Chun HJ, Meinander N, Villarreal JR, Laane J |
| 418 - 427 |
Tetramer Model of Leukoemeraldine-Emeraldine Electrochemistry in the Presence of Trihalogenoacetic Acids. DFT Approach
Barbosa NA, Grzeszczuk M, Wieczorek R |
| 428 - 428 |
Carbon Nanohoops: Excited Singlet and Triplet Behavior of [9]- and [12]-Cycloparaphenylene (vol 118, pg 1595, 2014)
Hines DA, Darzi ER, Jasti R, Kamat PV |
