1121. Avital Sharir‐Ivry; Rajapandian Varatharaj; Avital Shurki, Valence Bond and Enzyme Catalysis: A Time To Break Down and a Time To Build Up. Chemistry - A European Journal 2015, 21(19), 7159-7169.

1122. 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).

1123. Fang Liu; Likai Du*; Jun Gao*; Lili Wang; Bo Song; Chengbu Liu, Application of polarizable ellipsoidal force field model to pnicogen bonds. Journal of Computational Chemistry 2015, 36(7), 441-448.

1124. Ginny Karir; K. S. Viswanathan*, Phenylacetylene–water complex: Is it n⋯σ or H⋯π in the matrix?. Journal of Molecular Structure 2015. 145-156.

1125. 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).

1126. Feng Wang*; Shawkat Islam; Vladislav Vasilyev, Ferrocene Orientation Determined Intramolecular Interactions Using Energy Decomposition Analysis. Materials 2015, 8(11), 7723-7737.

1127. Pujarini Banerjee; D. Mukhopadhyay; Tapas Chakraborty, On the origin of donor O–H bond weakening in phenol-water complexes. The Journal of Chemical Physics 2015, 143(20).

1128. Mehdi D. Esrafili; Fariba Mohammadian‐Sabet; Mohammad Mehdi Baneshi, An ab initio investigation of chalcogen–hydride interactions involving HXeH as a chalcogen bond acceptor. Structural Chemistry 2015, 27(3), 785-792.

1129. Daniel Garcez Santos Quattrociocchi; Gláucio B. Ferreira; Leonardo Moreira da Costa*; José Walkimar de M. Carneiro*, DFT studies of the interactions between the [Ca(H 2 O) 5 ] 2+ cation and monofunctional oxo, aza, sulfur and phosphorous ligands. Computational and Theoretical Chemistry 2015. 104-110.

1130. Kalyanashis Jana; Bishwajit Ganguly*, In silico studies with substituted adenines to achieve a remarkable stability of mispairs with thymine nucleobase. New Journal of Chemistry 2015, 40(2), 1807-1816.

1131. Mehdi D. Esrafili*; Mahshad Vakili, Strengthening halogen… halogen interactions by hydrogen and lithium bonds in NCM···NCX···YCH3and CNM···CNX···YCH3(M = H, Li and X,Y = Cl, Br) complexes: a comparative study. Molecular Physics 2015, 114(2), 325-332.

1132. Xing Yang; Panpan Zhou*; Da‐Gang Zhou; Pei‐Jun Zheng; Yang Dai; Chaoxian Yan; Zhaoyong Yang*, Simultaneous interactions of amphoteric halogen in XY (X = Cl, Br and Y = F, Cl, Br) with C and O atoms of CO 2 in ring-shaped CO 2 ·X(Y)·CO 2 complexes. Computational and Theoretical Chemistry 2015. 32-41.

1133. Meng Gao; Qingzhong Li*; Jianbo Cheng; Wenzuo Li; Hai‐Bei Li*, Complicated synergistic effects between metal–π interaction and halogen bonding involving MCCX. RSC Advances 2015, 5(127), 105160-105168.

1134. Zhang Xue-jin; Zhen Gong; Jian Li; Tao Lu, Intermolecular Sulfur···Oxygen Interactions: Theoretical and Statistical Investigations. Journal of Chemical Information and Modeling 2015, 55(10), 2138-2153.

1135. Paul R. Horn*, Improvements in Energy Decomposition Analysis for Single Determinant Methods. 2015.

1136. 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.

1137. 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.

1138. Richard Julian Azar*, LOCAL CORRELATION MODELS AND APPLICATIONS IN ELECTRONIC STRUCTURE THEORY. 2015.

1139. Mehdi D. Esrafili; Fariba Mohammadian‐Sabet, Does single-electron chalcogen bond exist? Some theoretical insights. Journal of Molecular Modeling 2015, 21(3).

1140. Manuel A.V. Ribeiro da Silva; Victor M.F. Morais; María D.M.C. Ribeiro da Silva*; Ricardo G. Simões; Carlos E. S. Bernardes; M. Fátima M. Piedade; Manuel E. Minas da Piedade, Structural and energetic characterization of anhydrous and hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray diffraction, and computational studies. The Journal of Chemical Thermodynamics 2015. 35-48.