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Molecular physics (Page 1)

branch of physics

  1. Explore » 
  2. chemistry » 
  3. Molecular physics
Subconcepts:
  1. Energy transfer
  2. Fixed charge
  3. Surface structure
Papers in this category: 282 660 Current Page: 1 / 100
DOI: 10.1063/1.1747157
1949
Cited 1668 times
The Dimensions of Chain Molecules Containing Branches and Rings
DOI: 10.1063/1.1688752
2004
Cited 1654 times
A long-range-corrected time-dependent density functional theory
DOI: 10.1016/s0009-2614(99)01149-5
1999
Cited 1652 times
Time-dependent density functional theory within the Tamm–Dancoff approximation
DOI: 10.1063/1.110199
1993
Cited 1650 times
Direct formation of quantum-sized dots from uniform coherent islands of InGaAs on GaAs surfaces
DOI: 10.1088/0022-3719/12/22/036
1979
Cited 1631 times
The stability of ionic crystal surfaces
DOI: 10.1016/j.susc.2006.01.041
2006
Cited 1630 times
New interpretations of XPS spectra of nickel metal and oxides
DOI: 10.1038/43646
1999
Cited 1629 times
Light-driven monodirectional molecular rotor
DOI: 10.1126/science.278.5340.1111
1997
Cited 1629 times
Direct Measurement of Distances and Angles in Biomolecules by NMR in a Dilute Liquid Crystalline Medium
DOI: 10.1021/acs.jctc.8b01176
2019
Cited 1622 times
GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion Contributions
DOI: 10.1126/science.1163861
2008
Cited 1620 times
A High Phase-Space-Density Gas of Polar Molecules
DOI: 10.1063/1.445676
1983
Cited 1613 times
A simple model for the ionization potential, electron affinity, and aqueous redox potentials of small semiconductor crystallites
DOI: 10.1103/physrevlett.75.152
1995
Cited 1602 times
Experimental Confirmation of the X-Ray Magnetic Circular Dichroism Sum Rules for Iron and Cobalt
DOI: 10.1063/1.1726787
1966
Cited 1579 times
Atomic View of Surface Self-Diffusion: Tungsten on Tungsten
DOI: 10.1103/physrevb.65.035109
2001
Cited 1579 times
Maximally localized Wannier functions for entangled energy bands
DOI: 10.1063/1.450025
1986
Cited 1575 times
Density functional calculations of molecular bond energies
DOI: 10.1021/nl0502672
2005
Cited 1567 times
Highly Efficient Multiple Exciton Generation in Colloidal PbSe and PbS Quantum Dots
DOI: 10.1021/ja039556n
2004
Cited 1564 times
Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes
DOI: 10.1002/(sici)1096-987x(199803)19:4<404::aid-jcc3>3.0.co;2-w
1998
Cited 1553 times
Geometry optimization of molecular structures in solution by the polarizable continuum model
DOI: 10.1126/science.262.5131.218
1993
Cited 1544 times
Confinement of Electrons to Quantum Corrals on a Metal Surface
DOI: 10.1039/f29797500790
1979
Cited 1530 times
Plasma resonance enhancement of Raman scattering by pyridine adsorbed on silver or gold sol particles of size comparable to the excitation wavelength
DOI: 10.1002/adfm.200901884
2010
Cited 1526 times
Blue Luminescence of ZnO Nanoparticles Based on Non‐Equilibrium Processes: Defect Origins and Emission Controls
DOI: 10.1016/0039-6028(73)90264-1
1973
Cited 1523 times
The physical interaction of gases with crystalline solids
DOI: 10.1002/pssb.200301962
2004
Cited 1519 times
Bound exciton and donor–acceptor pair recombinations in ZnO
DOI: 10.1103/physrevb.63.245101
2001
Cited 1510 times
All-electron magnetic response with pseudopotentials: NMR chemical shifts
DOI: 10.1103/physrevlett.86.1114
2001
Cited 1504 times
Theory of Extraordinary Optical Transmission through Subwavelength Hole Arrays
DOI: 10.1103/physreve.62.4318
2000
Cited 1504 times
Electromagnetic contributions to single-molecule sensitivity in surface-enhanced Raman scattering
DOI: 10.1039/ft9918703881
1991
Cited 1503 times
Ultraviolet–visible absorption spectra of the colloidal metallic elements
DOI: 10.1021/nl049681c
2004
Cited 1499 times
Plasmon Hybridization in Nanoparticle Dimers
DOI: 10.1063/1.440136
1980
Cited 1496 times
Sideband intensities in NMR spectra of samples spinning at the magic angle
DOI: 10.1126/science.1176210
2009
Cited 1496 times
The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy
DOI: 10.1119/1.1933338
1953
Cited 1494 times
Determination of Molecular Structure from Microwave Spectroscopic Data
DOI: 10.1107/s0021889809000338
2009
Cited 1484 times
<i>DAMMIF</i>, a program for rapid<i>ab-initio</i>shape determination in small-angle scattering
DOI: 10.1107/s0567739478001886
1978
Cited 1473 times
Testing aspherical atom refinements on small-molecule data sets
DOI: 10.1103/physrevb.62.13104
2000
Cited 1470 times
Carbon nanotubes, buckyballs, ropes, and a universal graphitic potential
DOI: 10.1103/physrevb.40.3979
1989
Cited 1457 times
<i>Ab initio</i>multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems
DOI: 10.1103/physrev.109.272
1958
Cited 1453 times
Band Structure of Graphite
DOI: 10.1126/science.276.5321.2012
1997
Cited 1448 times
Scanning Confocal Optical Microscopy and Magnetic Resonance on Single Defect Centers
DOI: 10.1063/1.1712233
1967
Cited 1447 times
Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap
DOI: 10.1103/physrevlett.82.4142
1999
Cited 1445 times
Three-Dimensional Vibrational Imaging by Coherent Anti-Stokes Raman Scattering
DOI: 10.1103/physrevlett.101.196405
2008
Cited 1444 times
Measurement of the Optical Conductivity of Graphene
DOI: 10.1016/j.carbon.2009.12.057
2010
Cited 1438 times
Quantifying ion-induced defects and Raman relaxation length in graphene
DOI: 10.1103/physrevb.58.6779
1998
Cited 1435 times
Surface plasmons enhance optical transmission through subwavelength holes
DOI: 10.1021/jp990183f
1999
Cited 1431 times
Simulation of the Optical Absorption Spectra of Gold Nanorods as a Function of Their Aspect Ratio and the Effect of the Medium Dielectric Constant
DOI: 10.1021/jp9605663
1996
Cited 1430 times
Contemporary Issues in Electron Transfer Research
DOI: 10.1103/physrevlett.65.1020
1990
Cited 1425 times
Kinetic pathway in Stranski-Krastanov growth of Ge on Si(001)
DOI: 10.1021/nl034197f
2003
Cited 1419 times
Interparticle Coupling Effects on Plasmon Resonances of Nanogold Particles
DOI: 10.1063/1.1670391
1968
Cited 1417 times
Molecular Beams of Macroions
DOI: 10.1209/0295-5075/28/5/007
1994
Cited 1413 times
Stability and Band Gap Constancy of Boron Nitride Nanotubes
DOI: 10.1103/physrevlett.97.017402
2006
Cited 1412 times
Enhancement of Single-Molecule Fluorescence Using a Gold Nanoparticle as an Optical Nanoantenna
DOI: 10.1016/s0263-7855(97)00009-x
1996
Cited 1412 times
HOLE: A program for the analysis of the pore dimensions of ion channel structural models
DOI: 10.1063/1.1746738
1948
Cited 1398 times
The Scattering of Light and the Radial Distribution Function of High Polymer Solutions
DOI: 10.1021/nl071008a
2007
Cited 1397 times
On the Universal Scaling Behavior of the Distance Decay of Plasmon Coupling in Metal Nanoparticle Pairs: A Plasmon Ruler Equation
DOI: 10.1063/1.453467
1987
Cited 1396 times
Dynamic disorder in methylammoniumtrihalogenoplumbates (II) observed by millimeter-wave spectroscopy
DOI: 10.1063/1.1699030
1953
Cited 1391 times
A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II
DOI: 10.1002/anie.200503873
2006
Cited 1385 times
Materials for Fluorescence Resonance Energy Transfer Analysis: Beyond Traditional Donor–Acceptor Combinations
DOI: 10.1103/physrevlett.64.1955
1990
Cited 1382 times
Force fields for silicas and aluminophosphates based on<i>ab initio</i>calculations
DOI: 10.1063/1.1746740
1948
Cited 1361 times
Apparatus and Methods for Measurement and Interpretation of the Angular Variation of Light Scattering; Preliminary Results on Polystyrene Solutions
DOI: 10.1021/ar900233v
2009
Cited 1336 times
The Spectral Signatures of Frenkel Polarons in H- and J-Aggregates
DOI: 10.1016/s0006-3495(97)78780-0
1997
Cited 1331 times
Stretching DNA with optical tweezers
DOI: 10.1103/physrev.45.706
1934
Cited 1330 times
The Normal Modes and Frequencies of Vibration of the Regular Plane Hexagon Model of the Benzene Molecule
DOI: 10.1016/s0030-4018(03)01357-9
2003
Cited 1329 times
Optical properties of two interacting gold nanoparticles
DOI: 10.1038/nature01143
2002
Cited 1324 times
Time-resolved atomic inner-shell spectroscopy
DOI: 10.1021/nl061420a
2006
Cited 1318 times
Raman Scattering from High-Frequency Phonons in Supported <i>n</i>-Graphene Layer Films
DOI: 10.1103/physrevlett.27.1204
1971
Cited 1316 times
New Technique for Investigating Noncrystalline Structures: Fourier Analysis of the Extended X-Ray—Absorption Fine Structure
DOI: 10.1038/27399
1998
Cited 1313 times
Quantized conductance through individual rows of suspended gold atoms
DOI: 10.1103/physrevb.46.1804
1992
Cited 1311 times
Electronic structure of graphene tubules based on<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>60</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
DOI: 10.1103/physrevb.76.073103
2007
Cited 1310 times
Substrate-induced band gap in graphene on hexagonal boron nitride:<i>Ab initio</i>density functional calculations
DOI: 10.1063/1.432142
1976
Cited 1308 times
Temperature dependent activation energy for electron transfer between biological molecules
DOI: 10.1063/1.446956
1984
Cited 1308 times
The characterization of atomic interactions
DOI: 10.1021/jp045733a
2005
Cited 1302 times
New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)
DOI: 10.1073/pnas.83.22.8440
1986
Cited 1301 times
Absolute electronegativity and hardness correlated with molecular orbital theory
DOI: 10.1103/physrevb.35.2946
1987
Cited 1297 times
Electronic and atomic structure of amorphous carbon
DOI: 10.1021/nl0515753
2005
Cited 1297 times
Localized Surface Plasmon Resonance Spectroscopy of Single Silver Nanocubes
DOI: 10.1103/physrevlett.111.216805
2013
Cited 1296 times
Optical Spectrum of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>: Many-Body Effects and Diversity of Exciton States
DOI: 10.1016/s0006-3495(01)76260-1
2001
Cited 1294 times
Determination of Domain Structure of Proteins from X-Ray Solution Scattering
DOI: 10.1126/science.287.5455.1011
2000
Cited 1294 times
Quantization of Multiparticle Auger Rates in Semiconductor Quantum Dots
DOI: 10.1021/jp962922n
1997
Cited 1290 times
Optical Absorption Spectra of Nanocrystal Gold Molecules
DOI: 10.1116/1.573160
1985
Cited 1280 times
Structural analysis of Si(111)-7×7 by UHV-transmission electron diffraction and microscopy
DOI: 10.1103/physrevlett.45.569
1980
Cited 1274 times
Two-Dimensional Interfacial Colloidal Crystals
DOI: 10.1103/physrevb.59.3393
1999
Cited 1274 times
Interatomic potentials for monoatomic metals from experimental data and<i>ab initio</i>calculations
DOI: 10.1103/physrev.60.661
1941
Cited 1273 times
Anisotropy of the Electronic Work Function of Metals
DOI: 10.1016/s1359-0278(97)00024-2
1997
Cited 1272 times
Direct evaluation of thermal fluctuations in proteins using a single-parameter harmonic potential
DOI: 10.1107/s0021889869006868
1969
Cited 1270 times
The structure of vitreous silica
DOI: 10.1209/0295-5075/26/8/005
1994
Cited 1263 times
Interatomic Potentials from First-Principles Calculations: The Force-Matching Method
DOI: 10.1080/00268977100100481
1971
Cited 1258 times
Perturbation theory of the non-linear optical polarization of an isolated system
DOI: 10.1103/physrevb.77.235430
2008
Cited 1257 times
First-principles study of metal adatom adsorption on graphene
DOI: 10.1002/anie.198406271
1984
Cited 1254 times
Chemical Bonds without Bonding Electron Density — Does the Difference Electron‐Density Analysis Suffice for a Description of the Chemical Bond?
DOI: 10.1126/science.280.5370.1732
1998
Cited 1248 times
Single-Molecule Vibrational Spectroscopy and Microscopy
DOI: 10.1063/1.1747293
1949
Cited 1247 times
Classification of Spectra of Cata-Condensed Hydrocarbons
DOI: 10.1063/1.454603
1988
Cited 1241 times
The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration
DOI: 10.1021/ja992128q
1999
Cited 1240 times
Surface Enhanced Raman Spectroscopy of Individual Rhodamine 6G Molecules on Large Ag Nanocrystals
DOI: 10.1103/physrevb.42.9307
1990
Cited 1239 times
Scanning tunneling microscopy observations on the reconstructed Au(111) surface: Atomic structure, long-range superstructure, rotational domains, and surface defects
DOI: 10.1103/physrevlett.93.156801
2004
Cited 1222 times
Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces
DOI: 10.1021/ja025896h
2002
Cited 1215 times
Estimates of the Ab Initio Limit for π−π Interactions: The Benzene Dimer
DOI: 10.1103/physrevb.54.4843
1996
Cited 1214 times
Band-edge exciton in quantum dots of semiconductors with a degenerate valence band: Dark and bright exciton states
DOI: 10.1126/science.1079700
2003
Cited 1211 times
Zero-Mode Waveguides for Single-Molecule Analysis at High Concentrations
DOI: 10.1016/j.ab.2004.11.026
2005
Cited 1211 times
Radiative decay engineering 5: metal-enhanced fluorescence and plasmon emission
DOI: 10.1021/jp960488j
1996
Cited 1208 times
Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations
DOI: 10.1063/1.1677649
1972
Cited 1207 times
Theory for the Forces between Closed-Shell Atoms and Molecules
DOI: 10.1002/jcc.540161202
1995
Cited 1202 times
Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix‐inversion procedures and the renormalization of the apparent charges
Papers in this category: 282 660 Current Page: 1 / 100