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- Currently displaying 19341 - 19360 of 30660 publications
Vibrational energy levels with arbitrary potentials using the Eckart-Watson Hamiltonians and the discrete variable representation.
J Chem Phys
(2007)
127
084102
(doi: 10.1063/1.2756518)
Crystal and molecular structure of trans-1,2-bis(2-benzothiazolyl)ethene
Journal of Chemical Crystallography
(2007)
37
713
(doi: 10.1007/s10870-007-9238-1)
Fluctuation-dissipation ratios in the dynamics of self-assembly.
Physical Review E Statistical Nonlinear and Soft Matter Physics
(2007)
76
021119
(doi: 10.1103/PhysRevE.76.021119)
An overview of snow photochemistry:: evidence, mechanisms and impacts
Atmospheric Chemistry and Physics
(2007)
7
4329
(doi: 10.5194/acp-7-4329-2007)
Predicting and Engineering Inclusion Frameworks
Acta Crystallographica Section A Foundations of Crystallography
(2007)
63
S47
(doi: 10.1107/S0108767307098960)
Phase coexistence of cluster crystals: beyond the Gibbs phase rule
(2007)
(doi: 10.48550/arxiv.0708.2979)
Can crystal structure prediction predict whether a salt or a cocrystal will be formed?
Acta Crystallographica Section A: Foundations and advances
(2007)
63
s163
(doi: 10.1107/s0108767307096328)
Can Marcus Theory Be Applied to Redox Processes in Ionic Liquids? A Comparative Simulation Study of Dimethylimidazolium Liquids and Acetonitrile
Journal of Physical Chemistry B
(2007)
111
10800
(doi: 10.1021/jp074298s)
Optical Absorption of a Green Fluorescent Protein Variant: Environment Effects in a Density Functional Study
The Journal of Physical Chemistry B
(2007)
111
10807
(doi: 10.1021/jp072511e)
Multimodel projections of stratospheric ozone in the 21st century
Journal of Geophysical Research Atmospheres
(2007)
112
D16303
(doi: 10.1029/2006jd008332)
A sequential enantioselective, organocatalytic route to chiral 1,2-oxazines and chiral pyridazines
Organic & Biomolecular Chemistry
(2007)
5
2678
(doi: 10.1039/b708646f)
Natural Products as an Inspiration for the Discovery of New High-Throughput Chemical Synthesis Tools, in Drug Discovery and Development: Drug Development
(2007)
2
51
(doi: 10.1002/9780470085226.ch18)
Short, Facile, and High‐Yielding Synthesis of Extremely Efficient Pincer‐Type Suzuki Catalysts Bearing Aminophosphine Substituents
Angewandte Chemie International Edition
(2007)
46
6514
(doi: 10.1002/anie.200701804)
"Phylochemical Tree" for drug targets: Putting biological activities into context via ligand-based similarity measures
ABSTR PAP AM CHEM S
(2007)
234
PHYS 31-Redox free energies and one-electron energy levels from density functional theory based molecular dynamics
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
PHYS 97-Density functional based molecular dynamics simulation of the aqueous hydroxyl and thiyl radical
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
Exploring energy landscapes with explicit and implicit water
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 495-Tautomers, conformers, and computation of chemical similarity
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2007)
234
COMP 492-Caught in atomistic detailed action: Modeling of protein-G monomers forming oligomers
ABSTR PAP AM CHEM S
(2007)
234
COMP 158-Automated combinatorial alignment for 3-D similarity searching
ABSTR PAP AM CHEM S
(2007)
234