| 1 - 6 |
Electronic relaxation in lead clusters: An indicator of non-metallic behavior
Heinzelmann J, Kruppa P, Proch S, Kim YD, Gantefor G |
| 7 - 12 |
Theoretical study of cellobiose hydrolysis to glucose in ionic liquids
Nishimura Y, Yokogawa D, Irle S |
| 13 - 17 |
A study of the hydration of ribonuclease A using densitometry: Effect of the protein hydrophobicity and polarity
Sirotkin VA, Khadiullina AV |
| 18 - 20 |
Revisiting symmetry breaking in BNB: The key role of electronic correlation
Liu Y, Zou WL, Bersuker IB |
| 21 - 27 |
Steric and electronic contributions to the core reactivity of monoprotonated 5-phenylporphyrin: A DFT study
Presselt M, Wojdyr M, Beenken WJD, Kruk M, Martinez TJ |
| 28 - 32 |
Electronic properties of zigzag, armchair and their hybrid quantum dots of graphene and boron-nitride with and without substitution: A DFT study
Yamijala SSRKC, Bandyopadhyay A, Pati SK |
| 33 - 36 |
Vacuum ultraviolet photoabsorption of pure solid ozone and its implication on the identification of ozone on Moon
Sivaraman B, Nair BG, Sekhar BNR, Lo JI, Sridharan R, Cheng BM, Mason NJ |
| 37 - 40 |
Destabilization of the halogen bond in complexes of protonated NCX (X = F, Cl, Br) molecules
McDowell SAC, Joseph JA |
| 41 - 45 |
Quantum reaction dynamics study of vibrational excitation effects on the Cl + CHD3/CD4 -> HCl/DCl + CD3 reactions
Yan W, Wang DY |
| 46 - 50 |
Site-specific formation of metastable dications following inner-shell ionization of CO2
Hikosaka Y, Shibata Y, Soejima K, Iwayama H, Shigemasa E |
| 51 - 51 |
The extinction differential induced virulence macroevolution (vol 599, pg 38, 2014)
Zhang F, Xu LF, Wang J |
| 52 - 56 |
The dependence of the J energy level position with the crystal field
Souza AS, Cortes GKR |
| 57 - 61 |
Polarity and oxidation level of visible absorbers in model organic aerosol
Kameel FR, Lee SH, Hoffmann MR, Colussi AJ |
| 62 - 66 |
Origin of piezoelectricity in monolayer halogenated graphane piezoelectrics
Kim HJ, Noor-A-Alam M, Son JY, Shin YH |
| 67 - 74 |
Efficient vibrational analysis for unrestricted Hartree-Fock based on the fragment molecular orbital method
Nakata H, Fedorov DG, Yokojima S, Kitaura K, Nakamura S |
| 75 - 81 |
Thermodynamics of hydride formation and decomposition in supported sub-10 nm Pd nanoparticles of different sizes
Wadell C, Pingel T, Olsson E, Zoric I, Zhdanov VP, Langhammer C |
| 82 - 88 |
Electron nuclear dynamics of proton collisions with DNA/RNA bases at E-Lab=80 keV: A contribution to proton cancer therapy research
Privett AJ, Morales JA |
| 89 - 94 |
Calculated vibrational populations of O-2 Herzberg states in the mixture of CO2, CO, N-2, O-2 gases
Kirillov AS |
