Advances in spectroscopy and dynamics of small and medium sized molecules and clusters
出版年份 2017 全文链接
标题
Advances in spectroscopy and dynamics of small and medium sized molecules and clusters
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 32, Pages 21236-21261
出版商
Royal Society of Chemistry (RSC)
发表日期
2017-07-10
DOI
10.1039/c7cp01980g
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- (2017) Stephen D. Price et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Infrared absorption by molecular gases to probe porous materials and comparisons with other techniques
- (2017) J.-M. Hartmann et al. MICROPOROUS AND MESOPOROUS MATERIALS
- Computational study of the interplay between intermolecular interactions and CO2 orientations in type I hydrates
- (2017) M. Pérez-Rodríguez et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Complex rovibrational dynamics of the Ar·NO+ complex
- (2017) Dóra Papp et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Advances in threshold photoelectron spectroscopy (TPES) and threshold photoelectron photoion coincidence (TPEPICO)
- (2017) Tomas Baer et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Additive cardioprotection by pharmacological postconditioning with hydrogen sulfide and nitric oxide donors in mouse heart: S-sulfhydration vs. S-nitrosylation
- (2016) Junhui Sun et al. CARDIOVASCULAR RESEARCH
- Calculating rovibrationally excited states of H 2 D + and HD2+ by combination of fixed node and multi-state rotational diffusion Monte Carlo
- (2016) Jason E. Ford et al. CHEMICAL PHYSICS LETTERS
- The Structure and Torsional Dynamics of Two Methyl Groups in 2-Acetyl-5-methylfuran as Observed by Microwave Spectroscopy
- (2016) Vinh Van et al. CHEMPHYSCHEM
- Ab Initio and DFT Studies on CO2Interacting with Znq+-Imidazole (q=0, 1, 2) Complexes: Prediction of Charge Transfer through σ- or π-Type Models
- (2016) Reda Boulmene et al. CHEMPHYSCHEM
- Interference stabilization of autoionizing states in molecular N2 studied by time- and angular-resolved photoelectron spectroscopy
- (2016) Martin Eckstein et al. FARADAY DISCUSSIONS
- Accurate molecular structures of small- and medium-sized molecules
- (2016) Cristina Puzzarini INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Astronomical complex organic molecules: Quantum chemistry meets rotational spectroscopy
- (2016) Cristina Puzzarini INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Translation-rotation states of H2 in C60: New insights from a perturbation-theory treatment
- (2016) Peter M. Felker et al. JOURNAL OF CHEMICAL PHYSICS
- Imaging a multidimensional multichannel potential energy surface: Photodetachment of H−(NH3) and NH4−
- (2016) Qichi Hu et al. JOURNAL OF CHEMICAL PHYSICS
- HNS+ and HSN+ cations: Electronic states, spin-rovibronic spectroscopy with planetary and biological implications
- (2016) Tarek Trabelsi et al. JOURNAL OF CHEMICAL PHYSICS
- Encaged molecules in external electric fields: A molecular “tug-of-war”
- (2016) Nalini D. Gurav et al. JOURNAL OF CHEMICAL PHYSICS
- Perspective: Accurate ro-vibrational calculations on small molecules
- (2016) Jonathan Tennyson JOURNAL OF CHEMICAL PHYSICS
- Perspective: Ultracold molecules and the dawn of cold controlled chemistry
- (2016) N. Balakrishnan JOURNAL OF CHEMICAL PHYSICS
- Interactions of calcium with the external surfaces of fullerenes and endofullerenes doped with radioactive sodium iodide
- (2016) Alejandro Valderrama et al. JOURNAL OF MOLECULAR MODELING
- Structure and Stability Studies of Pharmacologically Relevant S-Nitrosothiols: A Theoretical Approach
- (2016) Benjamin Meyer et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Structure, Reactivity, and Fragmentation of Small Multi-Charged Methane Clusters
- (2016) A. Sanaa Zaag et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2016) Erika R. Warrick et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton Calculations
- (2016) Adrian N. Beyer et al. Journal of Physical Chemistry Letters
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- (2016) Justin J. Talbot et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2016) Matthew Nava et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A Triazole-Containing Metal–Organic Framework as a Highly Effective and Substrate Size-Dependent Catalyst for CO2 Conversion
- (2016) Pei-Zhou Li et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2016) Ziyong Chen et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2016) Nathaniel J. Hartmann et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2016) Xiaotong Jia et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2016) Alexandre Faure et al. MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
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- (2016) Michael P. Grubb et al. Nature Chemistry
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- (2016) Jolijn Onvlee et al. Nature Chemistry
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- (2016) Roland Wester Nature Physics
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- (2016) Ayelet Klein et al. Nature Physics
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- (2016) Juan P. Marcolongo et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2016) D. C. Clary SCIENCE
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- (2016) J. O. Richardson et al. SCIENCE
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- (2016) C. T. Wolke et al. SCIENCE
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- (2016) Jean-François Müller et al. Nature Communications
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- (2016) Thierry Stoecklin et al. Nature Communications
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- (2016) J. Biesheuvel et al. Nature Communications
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- (2016) Martin Eckstein et al. FARADAY DISCUSSIONS
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- (2016) Mizuho Fushitani et al. Structural Dynamics
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- (2016) Alexandre Faure et al. Scientific Reports
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- (2015) Rudolf Wedmann et al. INORGANIC CHEMISTRY
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- (2015) Daniel Kats et al. JOURNAL OF CHEMICAL PHYSICS
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- (2015) Sameh Nasri et al. JOURNAL OF CHEMICAL PHYSICS
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- (2015) Tarek Trabelsi et al. JOURNAL OF CHEMICAL PHYSICS
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- (2015) T. Trabelsi et al. JOURNAL OF CHEMICAL PHYSICS
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- (2015) A. Bellili et al. JOURNAL OF CHEMICAL PHYSICS
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- (2015) Eddy Bernard et al. JOURNAL OF CHEMICAL PHYSICS
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- (2015) María Pilar de Lara-Castells et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2015) Piotr Jankowski et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2015) Melanie L. Marlett et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2015) M. Briant et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2015) Youssef Majdi et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2015) Minzhong Xu et al. Journal of Physical Chemistry Letters
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- (2015) Chamara Abeysekera et al. Journal of Physical Chemistry Letters
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- (2015) V. Timón et al. MICROPOROUS AND MESOPOROUS MATERIALS
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- (2015) M. Hochlaf et al. MOLECULAR PHYSICS
- Linking high harmonics from gases and solids
- (2015) G. Vampa et al. NATURE
- Quantum dynamical resonances in low-energy CO(j = 0) + He inelastic collisions
- (2015) Astrid Bergeat et al. Nature Chemistry
- To the extreme
- (2015) Giulio Vampa et al. Nature Physics
- State-to-state vacuum ultraviolet photodissociation study of CO2 on the formation of state-correlated CO(X1Σ+; v) with O(1D) and O(1S) photoproducts at 11.95–12.22 eV
- (2015) Zhou Lu et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Examining the reaction of NO and H2S and the possible cross-talk between the two signaling pathways
- (2015) Christopher L. Bianco et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Key bioactive reaction products of the NO/H2S interaction are S/N-hybrid species, polysulfides, and nitroxyl
- (2015) Miriam M. Cortese-Krott et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Imaging resonances in low-energy NO-He inelastic collisions
- (2015) Sjoerd N. Vogels et al. SCIENCE
- Spectroscopic observation of resonances in the F + H2 reaction
- (2015) J. B. Kim et al. SCIENCE
- Spectroscopic characterization of isomerization transition states
- (2015) J. H. Baraban et al. SCIENCE
- Measurement and laser control of attosecond charge migration in ionized iodoacetylene
- (2015) P. M. Kraus et al. SCIENCE
- H 2 S: A Novel Gasotransmitter that Signals by Sulfhydration
- (2015) Bindu D. Paul et al. TRENDS IN BIOCHEMICAL SCIENCES
- Quantum dynamics of CO–H2 in full dimensionality
- (2015) Benhui Yang et al. Nature Communications
- From Cats and Blackcurrants: Structure and Dynamics of the Sulfur-Containing Cassis Odorant Cat Ketone
- (2014) Halima Mouhib et al. CHEMISTRY & BIODIVERSITY
- Theoretical spectroscopic investigations of HNSq and HSNq (q = 0, +1, −1) in the gas phase
- (2014) S. Ben Yaghlane et al. JOURNAL OF CHEMICAL PHYSICS
- Explicit correlation treatment of the potential energy surface of CO2 dimer
- (2014) Yulia N. Kalugina et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Direct measurements of nascent O(3P0,1,2) fine-structure distributions and branching ratios of correlated spin-orbit resolved product channels CO(ã3Π; v) + O(3P0,1,2) and CO(X̃Σ+1; v) + O(3P0,1,2) in VUV photodissociation of CO2
- (2014) Zhou Lu et al. JOURNAL OF CHEMICAL PHYSICS
- The effects of methyl internal rotation and 14N quadrupole coupling in the microwave spectra of two conformers of N,N-diethylacetamide
- (2014) Raphaela Kannengießer et al. JOURNAL OF CHEMICAL PHYSICS
- A chirped-pulse Fourier-transform microwave/pulsed uniform flow spectrometer. II. Performance and applications for reaction dynamics
- (2014) Chamara Abeysekera et al. JOURNAL OF CHEMICAL PHYSICS
- A chirped-pulse Fourier-transform microwave/pulsed uniform flow spectrometer. I. The low-temperature flow system
- (2014) James M. Oldham et al. JOURNAL OF CHEMICAL PHYSICS
- Importance of a Nonlocal Description of Electron–Electron Interactions in Modeling the Dissociative Adsorption of H2 on Cu(100)
- (2014) Florian Göltl et al. Journal of Physical Chemistry C
- Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band
- (2014) Changjian Xie et al. Journal of Physical Chemistry Letters
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- (2014) Halima Mouhib JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
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- (2014) Joel M. Bowman MOLECULAR PHYSICS
- The rate of the F + H2 reaction at very low temperatures
- (2014) Meryem Tizniti et al. Nature Chemistry
- State-resolved diffraction oscillations imaged for inelastic collisions of NO radicals with He, Ne and Ar
- (2014) Alexander von Zastrow et al. Nature Chemistry
- Observation of the isotope effect in sub-kelvin reactions
- (2014) Etay Lavert-Ofir et al. Nature Chemistry
- Characterization of gas phase WC2+: a thermodynamically stable carbide dication
- (2014) S. Sabor et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- On the possible biological relevance of HSNO isomers: a computational investigation
- (2014) Lena V. Ivanova et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Confirming a Predicted Selection Rule in Inelastic Neutron Scattering Spectroscopy: The Quantum Translator-RotatorH2Entrapped InsideC60
- (2014) Minzhong Xu et al. PHYSICAL REVIEW LETTERS
- Imaging Dynamics on the F + H2O -> HF + OH Potential Energy Surfaces from Wells to Barriers
- (2014) R. Otto et al. SCIENCE
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- (2014) Z. Lu et al. SCIENCE
- Ultrafast electron dynamics in phenylalanine initiated by attosecond pulses
- (2014) F. Calegari et al. SCIENCE
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- (2014) Miriam M. Cortese-Krott et al. Redox Biology
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- (2013) Melanie Schnell et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
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- (2013) Jan Lj. Miljkovic et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
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- (2013) Cheuk-Yiu Ng Annual Review of Physical Chemistry
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- (2013) Matt W. Ross et al. CHEMICAL PHYSICS LETTERS
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- (2013) Evelyne Roueff et al. CHEMICAL REVIEWS
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- (2013) Laurent Bonnet INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
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- (2013) Sergy Yu. Grebenshchikov JOURNAL OF CHEMICAL PHYSICS
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- (2013) David Feller et al. JOURNAL OF CHEMICAL PHYSICS
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- (2013) Majdi Hochlaf et al. JOURNAL OF CHEMICAL PHYSICS
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- (2013) David H. Bross et al. JOURNAL OF CHEMICAL PHYSICS
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- (2013) Andrew S. Petit et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Anab initiostudy of singlet and triplet Rydberg states of N2
- (2013) Duncan A Little et al. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
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- (2013) Zhixun Luo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2013) Stephen J. Klippenstein et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2013) H. Sabzyan et al. Journal of the Iranian Chemical Society
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- (2013) Toru Shiozaki et al. MOLECULAR PHYSICS
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- (2013) Wade G. Rellergert et al. NATURE
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- (2013) Ian R. Sims Nature Chemistry
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- (2013) Robin J. Shannon et al. Nature Chemistry
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- (2013) T. Room et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
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- (2013) M. H. Levitt PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
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- (2013) Michel Herman et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2013) Yosra Ajili et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2013) Slim Awali et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2013) Marc J. J. Vrakking PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2013) Lionel Poisson et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2013) J. Lee et al. PHYSICAL REVIEW A
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- (2013) S. Marx et al. PHYSICAL REVIEW LETTERS
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- (2013) G. A. Garcia et al. REVIEW OF SCIENTIFIC INSTRUMENTS
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- (2013) M. J. Barlow et al. SCIENCE
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- (2013) Felicitas Groß et al. Frontiers in Plant Science
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- (2012) A. Mahjoub et al. JOURNAL OF PHYSICAL CHEMISTRY A
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- (2012) Amir Golan et al. Nature Chemistry
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- (2012) Bindu D. Paul et al. NATURE REVIEWS MOLECULAR CELL BIOLOGY
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- (2012) Matt W. Ross et al. NEW JOURNAL OF CHEMISTRY
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- (2012) C. Coletta et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
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- (2012) M. Kirste et al. SCIENCE
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- (2012) M. P. Grubb et al. SCIENCE
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- (2012) A. E. Boguslavskiy et al. SCIENCE
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- (2011) V.-M. Rodriguez-Betancourtt et al. CHEMICAL PHYSICS
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- (2011) Ahmed Mahjoub et al. CHEMPHYSCHEM
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- (2011) Toru Shiozaki et al. JOURNAL OF CHEMICAL PHYSICS
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- (2011) Toru Shiozaki et al. JOURNAL OF CHEMICAL PHYSICS
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- (2011) Philippe Halvick et al. JOURNAL OF CHEMICAL PHYSICS
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- (2011) K. R. Shamasundar et al. JOURNAL OF CHEMICAL PHYSICS
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- (2011) Georg Ch. Mellau JOURNAL OF CHEMICAL PHYSICS
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- (2011) Lorenzo Lodi et al. JOURNAL OF CHEMICAL PHYSICS
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- (2011) María Pilar de Lara-Castells et al. Journal of Physical Chemistry Letters
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- (2011) V. Brites et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2011) Attila G. Császár et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2011) I. R. Sims SCIENCE
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- (2011) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
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- (2010) Daniel J. Frohman et al. JOURNAL OF CHEMICAL PHYSICS
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- (2010) A. Maatouk et al. JOURNAL OF CHEMICAL PHYSICS
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- (2010) M Hochlaf et al. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
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- (2010) G. Sansone et al. NATURE
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- (2010) Eleftherios Goulielmakis et al. NATURE
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- (2010) Meryem Tizniti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2010) Oleg Kostko et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2010) François Lique et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- The effect of π-stacking, H-bonding, and electrostatic interactions on the ionization energies of nucleic acid bases: adenine–adenine, thymine–thymine and adenine–thymine dimers
- (2010) Ksenia B. Bravaya et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core–valence basis sets for Li, Be, Na, and Mg
- (2010) J. Grant Hill et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Photoionization of 2-pyridone and 2-hydroxypyridine
- (2010) J. C. Poully et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Analysis of parity violation in chiral molecules
- (2010) Radovan Bast et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory
- (2009) Guntram Rauhut et al. JOURNAL OF CHEMICAL PHYSICS
- Simplified CCSD(T)-F12 methods: Theory and benchmarks
- (2009) Gerald Knizia et al. JOURNAL OF CHEMICAL PHYSICS
- Titan’s Ionic Species: Theoretical Treatment of N2H+and Related Ions†
- (2009) V. Brites et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Attosecond physics
- (2009) Ferenc Krausz et al. REVIEWS OF MODERN PHYSICS
- On the Elusive Twelfth Vibrational State of Beryllium Dimer
- (2009) K. Patkowski et al. SCIENCE
- Beryllium Dimer--Caught in the Act of Bonding
- (2009) J. M. Merritt et al. SCIENCE
- Quantum dynamics of coupled translational and rotational motions of H2 inside C60
- (2008) Minzhong Xu et al. JOURNAL OF CHEMICAL PHYSICS
- Water line lists close to experimental accuracy using a spectroscopically determined potential energy surface for H2O16, H2O17, and H2O18
- (2008) Sergei V. Shirin et al. JOURNAL OF CHEMICAL PHYSICS
- Optimized auxiliary basis sets for explicitly correlated methods
- (2008) Kazim E. Yousaf et al. JOURNAL OF CHEMICAL PHYSICS
- Systematically convergent basis sets for explicitly correlated wavefunctions: The atoms H, He, B–Ne, and Al–Ar
- (2008) Kirk A. Peterson et al. JOURNAL OF CHEMICAL PHYSICS
- Vibration−Rotation Spectroscopy of Molecules Trapped inside C60
- (2008) R. James Cross JOURNAL OF PHYSICAL CHEMISTRY A
- Capture of hydroxymethylene and its fast disappearance through tunnelling
- (2008) Peter R. Schreiner et al. NATURE
- Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions
- (2008) Oliver Marchetti et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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