Microscopic Mechanisms of Confinement-Induced Slow SolvationDAS, Amit; CHAKRABARTI, J.The journal of physical chemistry. A. 2013, Vol 117, Num 41, pp 10571-10575, issn 1089-5639, 5 p.Article

New Implicit Solvation Models for Dispersion and Exchange EnergiesPOMOGAEVA, Anna; CHIPMAN, Daniel M.The journal of physical chemistry. A. 2013, Vol 117, Num 28, pp 5812-5820, issn 1089-5639, 9 p.Article

Interfacial Solvation within n-Alkane Monolayers in Contact with Supercritical CO₂DABNEY, Michael J; BRIGHT, Frank V.Journal of physical chemistry. C. 2012, Vol 116, Num 34, pp 18340-18346, issn 1932-7447, 7 p.Article

Solvation Structures and Dynamics of the Magnesium Chloride (Mg²⁺―Cl^―) Ion Pair in Water―Ethanol Mixtures : STRUCTURE AND DYNAMICS: BORN-OPPENHEIMER THEORIES AND APPLICATIONS, REACTION DYNAMICS, AND MOLECULE SURFACE SCATTERINGCHATTERJEE, Anupam; MAYANK KUMAR DIXIT; TEMBE, B. L et al.The journal of physical chemistry. A. 2013, Vol 117, Num 36, pp 8703-8709, issn 1089-5639, 7 p.Article

Low-Frequency Modes of Aqueous Alkali Halide Solutions: Glimpsing the Hydrogen Bonding VibrationHEISLER, Ismael A; MEECH, Stephen R.Science (Washington, D.C.). 2010, Vol 327, Num 5967, pp 857-860, issn 0036-8075, 4 p.Article

Critical Study of the Charge Transfer Parameter for the Calculation of Interaction Energy Using the Local Hard―Soft Acid―Base PrincipleDAS, Susanta; SHEDGE, Sapana V; PAL, Sourav et al.The journal of physical chemistry. A. 2013, Vol 117, Num 42, pp 10933-10943, issn 1089-5639, 11 p.Article

Study of molecular interaction in ternary mixture of 1,2-dichlorobenzene with (benzene + p-xylene)-linear correlation factor, excess molar polarization and Gibb's free energy of mixingSINGH, Jayashree; GOURANGA CHARAN MOHANTY; ACHARYA, Swaroop et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2013, Vol 67, Num 10, issn 1434-6060, 207.1-207.6Article

Hydrogen bonding between chlorine oxide and water (H₂O . ClO) radical complexHUI FU; ZHENGYU ZHOU; XINMING ZHOU et al.Chemical physics letters. 2003, Vol 382, Num 3-4, pp 466-474, issn 0009-2614, 9 p.Article

Magnitude and Mechanism of Charge Enhancement of CH··O Hydrogen BondsADHIKARI, Upendra; SCHEINER, Steve.The journal of physical chemistry. A. 2013, Vol 117, Num 40, pp 10551-10562, issn 1089-5639, 12 p.Article

Theoretical Study of HOCl-Catalyzed Keto―Enol Tautomerization of β-Cyclopentanedione in an Explicit Water EnvironmentD'CUNHA, Cassian; MOROZOV, Alexander N; CHATFIELD, David C et al.The journal of physical chemistry. A. 2013, Vol 117, Num 35, pp 8437-8448, issn 1089-5639, 12 p.Article

Proton Transfer in the Complex H₃N...HCl Catalyzed by Encapsulation into a C₆₀ CageFANG MA; LI, Zhi-Ru; XU, Hong-Liang et al.ChemPhysChem (Print). 2009, Vol 10, Num 7, pp 1112-1116, issn 1439-4235, 5 p.Article

Delayed fluorescence of meso-tetraphenylporphyrin in acetone and in dimethylsulphoxideKORINEK, M; KLINGER, P; DEDIC, R et al.Journal of luminescence. 2007, Vol 122-23, pp 247-249, issn 0022-2313, 3 p.Conference Paper

Electrostatics at the Origin of the Stability of Phosphate-Phosphate Complexes Locked by Hydrogen BondsMATA, Ignasi; ALKORTA, Ibon; MOLINS, Elies et al.ChemPhysChem (Print). 2012, Vol 13, Num 6, pp 1421-1424, issn 1439-4235, 4 p.Article

Layers of cold dipolar molecules in the harmonic approximationARMSTRONG, J. R; ZINNER, N. T; FEDOROV, D. V et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2012, Vol 66, Num 3, issn 1434-6060, 6685.1-6685.17Article

Équilibres conformationnels du 1,2-dibromocyclohexane : étude théorique des effets des solvants = Conformational equilibriums of 1,2-dibromocyclohexane : theoretical study of solvent effectsOLANIYI LATIFOU OLATUNJI; COFFI AZANDEGBE ENI; ALICE KPOTA HOUNGUE et al.Comptes rendus. Chimie. 2007, Vol 10, Num 6, pp 524-528, issn 1631-0748, 5 p.Article

Spectroscopic properties of hydrogen-bond-modulated porphyrin dimer in different polar solventsYING GONG; JIE XIE; ANDONG XIA et al.Journal of luminescence. 2007, Vol 122-23, pp 250-252, issn 0022-2313, 3 p.Conference Paper

Towards single-molecule detection of intramolecular exciplexes : Photophysics of a benzanthrone derivativeHATTORI, Akifumi; SATO, Hisaya; VACHA, Martin et al.Journal of luminescence. 2007, Vol 122-23, pp 256-258, issn 0022-2313, 3 p.Conference Paper

Visible and near-infrared luminescence from self-assembled lanthanide(III) clusters with organic photosensitizersMANSEKI, Kazuhiro; HASEGAWA, Yasuchika; WADA, Yuji et al.Journal of luminescence. 2007, Vol 122-23, pp 262-264, issn 0022-2313, 3 p.Conference Paper

Energetics and electronic structure of acetylene molecules encapsulated inside a carbon nanotube : A density functional theory studyMARTINEZ-GUERRA, E; CANTO, G; TAKEUCHI, Noboru et al.Optical materials (Amsterdam). 2006, Vol 29, Num 1, pp 150-152, issn 0925-3467, 3 p.Conference Paper

Density functional complexation study of metal ions with (amino) polycarboxylic acid ligandsSILLANPÄÄ, Atte J; AKSELA, Reijo; LAASONEN, Kari et al.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 16, pp 3382-3393, issn 1463-9076, 12 p.Article

Potassium ion surrounded by aromatic rings: molecular dynamics of the first solvation shellALBERTI, Margarita; AGUILAR, Antonio; MARQUES, Jorge M. C et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2014, Vol 68, Num 12, issn 1434-6060, 364.1-364.8Article

Effects of Microhydration on the Electronic Properties of ortho-Aminobenzoic AcidBEZERRA PACHECO, Vanusa; CHAUDHURI, Puspitapallab.The journal of physical chemistry. A. 2013, Vol 117, Num 27, pp 5675-5684, issn 1089-5639, 10 p.Article

Intermolecular Interaction in the NH₃―H₂ and H₂O―H₂ Complexes by Molecular Beam Scattering Experiments: The Role of Charge TransferPIRANI, Fernando; CAPPELLETTI, David; BELPASSI, Leonardo et al.The journal of physical chemistry. A. 2013, Vol 117, Num 47, pp 12601-12607, issn 1089-5639, 7 p.Article

On the Origins of Large Interaction-Induced First Hyperpolarizabilities in Hydrogen-Bonded π-Electronic ComplexesGORA, Robert W; BLASIAK, Bartosz.The journal of physical chemistry. A. 2013, Vol 117, Num 31, pp 6859-6866, issn 1089-5639, 8 p.Article

On shape variation of confined triatomics of XY₂-typeMÜLLER-HEROLD, U.The European physical journal. D, Atomic, molecular and optical physics (Print). 2010, Vol 56, Num 3, pp 311-315, issn 1434-6060, 5 p.Article