1481. Xin Chang; Zuochang Chen; Peifeng Su; Wei Wu, The C O rotation in the gaseous glycine. An energy decomposition analysis study. Chemical Physics Letters 2015. 194-200.

1482. Yi Fang; An Yong Li; Fei Yan, A comparative study of the chalcogen bond, halogen bond and hydrogen bond S⋯O/Cl/H formed between SHX and HOCl. Journal of Molecular Modeling 2015, 21(3).

1483. Berhane Temelso; Carla R. Renner; George C. Shields, Importance and Reliability of Small Basis Set CCSD(T) Corrections to MP2 Binding and Relative Energies of Water Clusters. Journal of Chemical Theory and Computation 2015, 11(4), 1439-1448.

1484. Rahul Shukla; Deepak Chopra, Exploring the Role of Substitution on the Formation of Se···O/N Noncovalent Bonds. The Journal of Physical Chemistry B 2015, 119(47), 14857-14870.

1485. Peifeng Su; Zuochang Chen; Wei Wu, An energy decomposition analysis study for intramolecular non-covalent interaction. Chemical Physics Letters 2015. 250-256.

1486. Bhaskar Sharma; Hemant Kumar Srivastava; G. Gayatri; G. Narahari Sastry, Energy decomposition analysis of cation–π, metal ion–lone pair, hydrogen bonded, charge‐assisted hydrogen bonded, and π–π interactions. Journal of Computational Chemistry 2015, 36(8), 529-538.

1487. Berhane Temelso; Carla R. Renner; George C. Shields, Importance and Reliability of Small Basis Set CCSD(T) Corrections to MP2 Binding and Relative Energies of Water Clusters. Journal of Chemical Theory and Computation 2015, 11(4), 1439-1448.

1488. Peifeng Su; Zuochang Chen; Wei Wu, An energy decomposition analysis study for intramolecular non-covalent interaction. Chemical Physics Letters 2015. 250-256.

1489. Wei Gao; Yong Tian; Xiaopeng Xuan, How the cation–cation π–π stacking occurs: A theoretical investigation into ionic clusters of imidazolium. Journal of Molecular Graphics and Modelling 2015. 118-123.

1490. Júlio C. S. Da Silva; Willian R. Rocha, Insights into the coordination chemistry of alkanes to metal carbonyls from quantum chemical calculations. Journal of Organometallic Chemistry 2015. 241-247.

1491. Charlotte Brückner; Christof Walter; Matthias Stolte; Benoı̂t Braı̈da; Klaus Meerholz; Frank Würthner; Bernd Engels, Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes. The Journal of Physical Chemistry C 2015, 119(31), 17602-17611.

1492. Shuangli Du; Bingqiang Wang; Jian Zhang; Caiyun Zhang, Tuning anion-π interaction via halogen substituent effects in cyanuric acids and its derivatives. International Journal of Quantum Chemistry 2015, 115(17), 1147-1152.

1493. Maximillian J. S. Phipps; Thomas Fox; Christofer S. Tautermann; Chris‐Kriton Skylaris, Energy decomposition analysis approaches and their evaluation on prototypical protein–drug interaction patterns. Chemical Society Reviews 2015, 44(10), 3177-3211.

1494. Anand Kumar Bharti; Tamal Banerjee, Solubility prediction of bio-oil derived chemicals in aqueous media by Localized Molecular Orbital-Energy Decomposition Analysis (LMO-EDA) and COSMO-RS predictions. Computational and Theoretical Chemistry 2015. 48-59.

1495. Hongying Zhuo; Qingzhong Li; Wenzuo Li; Jianbo Cheng, The dual role of pnicogen as Lewis acid and base and the unexpected interplay between the pnicogen bond and coordination interaction in H3N⋯FH2X⋯MCN (X = P and As; M = Cu, Ag, and Au). New Journal of Chemistry 2015, 39(3), 2067-2074.

1496. Ewa Pastorczak; Antonio Prlj; Jérôme F. Gonthier; Clémence Corminbœuf, Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction. The Journal of Chemical Physics 2015, 143(22).

1497. Changwei Wang; Liangyu Guan; David Danovich; Sason Shaik; Yirong Mo, The origins of the directionality of noncovalent intermolecular interactions#. Journal of Computational Chemistry 2015, 37(1), 34-45.

1498. Paul R. Horn; Martin Head‐Gordon, Polarization contributions to intermolecular interactions revisited with fragment electric-field response functions. The Journal of Chemical Physics 2015, 143(11).

1499. Mehdi Shakourian‐Fard; Ganesh Kamath; Kassiopeia Smith; Hui Xiong; Subramanian K. R. S. Sankaranarayanan, Trends in Na-Ion Solvation with Alkyl-Carbonate Electrolytes for Sodium-Ion Batteries: Insights from First-Principles Calculations. The Journal of Physical Chemistry C 2015, 119(40), 22747-22759.

1500. Cuihuan Geng; Likai Du; Fang Liu; Rongxiu Zhu; Chengbu Liu, Theoretical study on the mechanism of selective fluorination of aromatic compounds with Selectfluor. RSC Advances 2015, 5(42), 33385-33391.