JOURNAL OF CHEMICAL PHYSICS Journal
Overview
publication venue for
- Chemical approaches to artificial photosynthesis: A molecular, dye-sensitized photoanode for O-2 production prepared by layer-by-layer self-assembly. 152. 2020
- Computational investigation of energy transfer and line broadening for Ar* plus He collisions. 151. 2019
- Cooperative structural transitions in amyloid-like aggregation. 146. 2017
- Luminescence of the (O-2(a(1)Delta(g)))(2) collisional complex in the temperature range of 90-315 K: Experiment and theory. 143. 2015
- Insights on cholinium- and piperazinium-based ionic liquids under external electric fields: A molecular dynamics study. 139. 2013
- Four-body interaction energy for compressed solid krypton from quantum theory. 137. 2012
- Lattice model simulations of the effects of the position of a peptide trigger segment on helix folding and dimerization. 137. 2012
- Product branching ratios in photodissociation of phenyl radical: A theoretical ab initio/Rice-Ramsperger-Kassel-Marcus study. 136. 2012
- Addition of one and two units of C2H to styrene: A theoretical study of the C10H9 and C12H9 systems and implications toward growth of polycyclic aromatic hydrocarbons at low temperatures. 134. 2011
- Fluorescent protein barrel fluctuations and oxygen diffusion pathways in mCherry. 135. 2011
- A crossed beams and ab initio investigation on the formation of cyanodiacetylene in the reaction of cyano radicals with diacetylene. 130. 2009
- An extended high pressure-temperature phase diagram of NaBH4. 131. 2009
- Matrix reorganization with intramolecular tunneling of H atom: Formic acid in Ar matrix. 130. 2009
- Experimental and theoretical investigations of ionization/dissociation of cyclopentanone molecule in a femtosecond laser field. 129. 2008
- Lattice model simulation of interchain protein interactions and the folding dynamics and dimerization of the GCN4 Leucine zipper. 128. 2008
- Raman spectroscopy study of ammonia borane at high pressure. 129. 2008
- The trigger sequence in the GCN4 leucine zipper: alpha-helical propensity and multistate dynamics of folding and dimerization. 129. 2008
- Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H((2)Sigma(+))+C4H2((1)Sigma(+)(g)) and C4H((2)Sigma(+))+C2H2((1)Sigma(+)(g)) reactions. 128. 2008
- Theoretical study of unimolecular decomposition of allene cations. 129. 2008
- Energetics of the dipole flip-flop motion in a ferroelectric polymer chain. 126. 2007
- Prediction of product branching ratios in the C(P-3)+C2H2 -> I-C3H+H/c-C3H+H/C-3+H-2 reaction using ab initio coupled clusters calculations extrapolated to the complete basis set combined with Rice-Ramsperger-Kassel-Marcus and radiationless transition theories. 126. 2007
- Sampling of states for estimating the folding funnel entropy and energy landscape of a model alpha-helical hairpin peptide. 127. 2007
- Ab initio/Rice-Ramsperger-Kassel-Marcus study of the singlet C4H4 potential energy surface and of the reactions of C-2(X (1)Sigma(+)(g)) with C4H4(X (1)A(1g)(+)) and C(D-1) with C3H4 (allene and methylacetylene). 125. 2006
- Infrared vibrational spectroscopy of cis-dichloroethene in Rydberg states. 124. 2006
- Photodissociation dynamics of pyrimidine. 124. 2006
- Photoluminescence of oxygen-deficient defects in germanium oxides: A quantum chemical study. 125. 2006
- Photoluminescence of oxygen-containing surface defects in germanium oxides: A theoretical study. 123. 2005
- Self-organization in protein folding and the hydrophobic interaction. 123. 2005
- Temperature and pressure dependences of tunneling rate constant: Density-functional theory potential-energy surface for H-atom transfer in the fluorene-acridine system. 123. 2005
- Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states. 123. 2005
- Photodissociation of benzene under collision-free conditions: An ab initio/Rice-Ramsperger-Kassel-Marcus study. 120. 2004
- Excluded volume entropic effects on protein unfolding times and intermediary stability. 120. 2004
- Quantum chemical modeling of photoabsorption and photoluminescence of the [AlO4](0) defect in bulk SiO2. 119. 2003
- Finite size scaling of structural transitions in a simulated protein with secondary and tertiary structure. 119. 2003
- STM images of guanine on graphite surface and the role of tip-sample interaction. 105. 1996
- CONTROL OF LONG-TIME DEPENDENCE OF CO BINDING TO HEME SYSTEMS BY INHOMOGENEOUS SPREAD IN ELECTRONIC PREFACTOR. 102. 1995
- REASSIGNMENT OF THE VIBRATIONAL STRUCTURE OF THE HUGGINS ABSORPTION-BAND OF OZONE. 101. 1994
- AN ASSIGNMENT OF THE STRUCTURED FEATURES IN THE HARTLEY BAND ABSORPTION-SPECTRUM OF OZONE. 100. 1994
- NONADIABATIC ELECTRONIC SPIN TRANSITION IN LIGAND-HEME PROTEIN-BINDING KINETICS AND THE INFLUENCE OF THE HEME FE MOLECULAR ENVIRONMENT. 96. 1992
- CO BINDING TO HEMOGLOBIN - SPIN-TUNNELING TEMPERATURE-DEPENDENCE, FE ELECTRONIC STATES, AND ELECTRONIC EFFECTS ON NONADIABATIC DYNAMICS. 88. 1988
- THE EFFECT OF VIBRATIONAL-EXCITATION ON THE 225 NM ABSORPTION-SPECTRUM OF OCS - A NON-CONDON ANALYSIS. 86. 1987
- ELECTRON-DENSITY STUDIES OF PORPHYRINS AND PHTHALOCYANINES .4. ELECTRON-DENSITY DISTRIBUTION IN CRYSTALS OF (MESO-TETRAPHENYLPORPHINATO) IRON(II). 84. 1986
- Lattice model simulation of interchain protein interactions and the folding dynamics and dimerization of the GCN4 Leucine zipper (vol 128, art no 045106, 2008) 2008
- Quantized dynamical bottlenecks and transition state control of the reaction of D with H-2: Effect of varying the total angular momentum 2000
Research
category
- CHEMISTRY, PHYSICAL Category
- PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Category
Identifiers
International Standard Serial Number (ISSN)
- 0021-9606
Electronic International Standard Serial Number (EISSN)
- 1089-7690
Other
journal abbreviation
- J CHEM PHYS