JOURNAL OF CHEMICAL PHYSICS

JOURNAL OF CHEMICAL PHYSICS Journal

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

category

CHEMISTRY, PHYSICAL Web of Science Category
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Web of Science Category

International Standard Serial Number (ISSN)

0021-9606

Electronic International Standard Serial Number (EISSN)

1089-7690

journal abbreviation

J CHEM PHYS