Papers citing XMVB
1301. Dilip Kumar Maity*, How Much Water Is Needed To Ionize Formic Acid?. The Journal of Physical Chemistry A 2013, 117(36), 8660-8670.
1302. Benoı̂t Braı̈da; Philippe C. Hiberty, The essential role of charge-shift bonding in hypervalent prototype XeF2. Nature Chemistry 2013, 5(5), 417-422.
1303. Leonardo Moreira da Costa; Gláucio B. Ferreira; José Walkimar de M. Carneiro, DFT studies of imino and thiocarbonyl ligands with the pentaaqua Mg2+ cation: affinity and associated parameters. Journal of Molecular Modeling 2013, 19(6), 2669-2677.
1304. Mehdi D. Esraili; Fariba Mohammadian‐Sabet; Parvin Esmailpour; Mohammad Solimannejad, Cooperativity between fluorine-centered halogen bonds: investigation of substituent effects. Journal of Molecular Modeling 2013, 19(12), 5625-5632.
1305. Xinjuan Hou; Peng He; Huiquan Li; Xingrui Wang, Understanding the Adsorption Mechanism of C2H2, CO2, and CH4 in Isostructural Metal–Organic Frameworks with Coordinatively Unsaturated Metal Sites. The Journal of Physical Chemistry C 2013, 117(6), 2824-2834.
1306. C. Z. Hadad*; Albeiro Restrepo; Samantha Jenkins; Frank Ramírez; Jorge David, Hydrophobic meddling in small water clusters. Theoretical Chemistry Accounts 2013, 132(8).
1307. Mohammad Solimannejad; Saber Ghafari Nikoo Jooneghani; Mehdi D. Esrafili, Theoretical insight into cooperativity in lithium-bonded complexes: Linear clusters of LiCN and LiNC. Chemical Physics Letters 2013. 6-10.
1308. Zhenhua Chen; Xun Chen; Wei Wu, Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy gradients in VBSCF method. The Journal of Chemical Physics 2013, 138(16).
1309. David Danovich; Sason Shaik; H. Chen, Theoretical Toolkits for Inorganic and Bioinorganic Complexes: Their Applications and Insights. Elsevier eBooks 2013. 1-57.
1310. Mohammad Solimannejad; Zahra Rezaei; Mehdi D. Esrafili, Competition and interplay between the lithium bonding and hydrogen bonding: R3C···HY···LiY and R3C···LiY···HY triads as a working model (R=H, CH3; Y=CN, NC). Journal of Molecular Modeling 2013, 19(11), 5031-5035.
1311. Mehdi D. Esrafili; Hadi Behzadi, Investigation into the nature of interactions in aspirin–water clusters including SAPT, AIM and NBO theories. Molecular Simulation 2013, 39(8), 629-639.
1312. Angappan Mano Priya; Senthilkumar Lakshmipathi; P. Kolandaivel, Hydrogen-bonded complexes of serotonin with methanol and ethanol: a DFT study. Structural Chemistry 2013, 25(1), 139-157.
1313. Sumit Kumar; Aloke Das, Observation of exclusively π-stacked heterodimer of indole and hexafluorobenzene in the gas phase. The Journal of Chemical Physics 2013, 139(10).
1314. Shane M. Parker; Tamar Seideman; Mark A. Ratner; Toru Shiozaki, Communication: Active-space decomposition for molecular dimers. The Journal of Chemical Physics 2013, 139(2).
1315. Nandun M. Thellamurege; Hajime Hirao, Water Complexes of Cytochrome P450: Insights from Energy Decomposition Analysis. Molecules 2013, 18(6), 6782-6791.
1316. Gerald Knizia*, Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts. Journal of Chemical Theory and Computation 2013, 9(11), 4834-4843.
1317. Marek Graff; Ján Cz. Dobrowolski, On tautomerism of diazinones. Computational and Theoretical Chemistry 2013. 55-64.
1318. Sudip Pan; Maryel Contreras; Jonathan Romero; Andrés Reyes; Pratim Kumar Chattaraj*; Gabriel Merino*, C5Li7+ and O2Li5+ as Noble‐Gas‐Trapping Agents. Chemistry - A European Journal 2013, 19(7), 2322-2329.
1319. Jean‐Pierre Dognon*, Theoretical insights into the chemical bonding in actinide complexes. Coordination Chemistry Reviews 2013. 110-122.
1320. Alfredo Lopéz; Giovanni F. Caramori; Daniel F. Coimbra; Renato L. T. Parreira; Éder H. da Silva, The Two Faces of Hydrogen‐Bond Strength on Triple AAA–DDD Arrays. ChemPhysChem 2013, 14(17), 3994-4001.