| Year |
Citation |
Score |
| 2024 |
Yuan X, Halbert L, Pototschnig JV, Papadopoulos A, Coriani S, Visscher L, Pereira Gomes AS. Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures. Journal of Chemical Theory and Computation. 20: 677-694. PMID 38193434 DOI: 10.1021/acs.jctc.3c00812 |
0.429 |
|
| 2023 |
Folkestad SD, Paul AC, Ponzi A, Grazioli C, Coreno M, de Simone M, Koch H, Coriani S. Electronic Characterization of Glycolaldehyde: Experimental and Theoretical Insights from the Core- and Valence-Level Spectroscopy. The Journal of Physical Chemistry. A. PMID 38084657 DOI: 10.1021/acs.jpca.3c06703 |
0.629 |
|
| 2023 |
Andersen JH, Hättig C, Coriani S, Štěpánek P. Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism. Physical Chemistry Chemical Physics : Pccp. PMID 37921593 DOI: 10.1039/d3cp02547k |
0.728 |
|
| 2023 |
Andersen JH, Coriani S, Hättig C. Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory. Journal of Chemical Theory and Computation. 19: 5977-5987. PMID 37650779 DOI: 10.1021/acs.jctc.3c00536 |
0.749 |
|
| 2023 |
Franzke YJ, Holzer C, Andersen JH, Begušić T, Bruder F, Coriani S, Della Sala F, Fabiano E, Fedotov DA, Fürst S, Gillhuber S, Grotjahn R, Kaupp M, Kehry M, Krstić M, et al. TURBOMOLE: Today and Tomorrow. Journal of Chemical Theory and Computation. PMID 37382508 DOI: 10.1021/acs.jctc.3c00347 |
0.704 |
|
| 2023 |
Schnack-Petersen AK, Pápai M, Coriani S, Møller KB. A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation. Structural Dynamics (Melville, N.Y.). 10: 034102. PMID 37250952 DOI: 10.1063/4.0000183 |
0.313 |
|
| 2023 |
Schnack-Petersen AK, Moitra T, Folkestad SD, Coriani S. New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering. The Journal of Physical Chemistry. A. 127: 1775-1793. PMID 36763003 DOI: 10.1021/acs.jpca.2c08181 |
0.391 |
|
| 2022 |
Schnack-Petersen AK, Tenorio BNC, Coriani S, Decleva P, Troß J, Ramasesha K, Coreno M, Totani R, Röder A. Core spectroscopy of oxazole. The Journal of Chemical Physics. 157: 214305. PMID 36511550 DOI: 10.1063/5.0122088 |
0.367 |
|
| 2022 |
Fedotov DA, Scott M, Scheurer M, Rehn DR, Dreuw A, Coriani S. Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order. The Journal of Chemical Physics. 157: 174109. PMID 36347705 DOI: 10.1063/5.0123030 |
0.33 |
|
| 2022 |
Andersen JH, Nanda KD, Krylov AI, Coriani S. Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory. Journal of Chemical Theory and Computation. PMID 36084326 DOI: 10.1021/acs.jctc.2c00541 |
0.349 |
|
| 2022 |
Schnack-Petersen AK, Koch H, Coriani S, Kjønstad EF. Efficient implementation of molecular CCSD gradients with Cholesky-decomposed electron repulsion integrals. The Journal of Chemical Physics. 156: 244111. PMID 35778080 DOI: 10.1063/5.0087261 |
0.596 |
|
| 2022 |
Tenorio BNC, Voß TA, Bokarev SI, Decleva P, Coriani S. Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center Approximation. Journal of Chemical Theory and Computation. PMID 35737643 DOI: 10.1021/acs.jctc.2c00252 |
0.338 |
|
| 2022 |
Moitra T, Paul AC, Decleva P, Koch H, Coriani S. Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum. Physical Chemistry Chemical Physics : Pccp. PMID 35322814 DOI: 10.1039/d1cp04695k |
0.623 |
|
| 2022 |
Tenorio BNC, Ponzi A, Coriani S, Decleva P. Photoionization Observables from Multi-Reference Dyson Orbitals Coupled to B-Spline DFT and TD-DFT Continuum. Molecules (Basel, Switzerland). 27. PMID 35208990 DOI: 10.3390/molecules27041203 |
0.305 |
|
| 2022 |
Andersen JH, Nanda KD, Krylov AI, Coriani S. Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study. Journal of Chemical Theory and Computation. PMID 35187935 DOI: 10.1021/acs.jctc.1c00937 |
0.375 |
|
| 2022 |
Fedotov DA, Paul AC, Koch H, Santoro F, Coriani S, Improta R. Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study. Physical Chemistry Chemical Physics : Pccp. 24: 4987-5000. PMID 35142309 DOI: 10.1039/d1cp04340d |
0.597 |
|
| 2021 |
Reinholdt P, Vidal ML, Kongsted J, Iannuzzi M, Coriani S, Odelius M. Nitrogen -Edge X-ray Absorption Spectra of Ammonium and Ammonia in Water Solution: Assessing the Performance of Polarizable Embedding Coupled Cluster Methods. The Journal of Physical Chemistry Letters. 8865-8871. PMID 34498464 DOI: 10.1021/acs.jpclett.1c02031 |
0.319 |
|
| 2021 |
Moitra T, Coriani S, Decleva P. Capturing Correlation Effects on Photoionization Dynamics. Journal of Chemical Theory and Computation. PMID 34254803 DOI: 10.1021/acs.jctc.1c00303 |
0.351 |
|
| 2021 |
Halbert L, Vidal ML, Shee A, Coriani S, Severo Pereira Gomes A. Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac-Coulomb(-Gaunt) Hamiltonian. Journal of Chemical Theory and Computation. 17: 3583-3598. PMID 33944570 DOI: 10.1021/acs.jctc.0c01203 |
0.357 |
|
| 2021 |
Fedotov DA, Coriani S, Hättig C. Damped (linear) response theory within the resolution-of-identity coupled cluster singles and approximate doubles (RI-CC2) method. The Journal of Chemical Physics. 154: 124110. PMID 33810703 DOI: 10.1063/5.0042759 |
0.744 |
|
| 2021 |
Scott M, Rehn DR, Coriani S, Norman P, Dreuw A. Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order. The Journal of Chemical Physics. 154: 064107. PMID 33588544 DOI: 10.1063/5.0038315 |
0.33 |
|
| 2021 |
Wolf TJA, Paul AC, Folkestad SD, Myhre RH, Cryan JP, Berrah N, Bucksbaum PH, Coriani S, Coslovich G, Feifel R, Martinez TJ, Moeller SP, Mucke M, Obaid R, Plekan O, et al. Transient resonant Auger-Meitner spectra of photoexcited thymine. Faraday Discussions. PMID 33566045 DOI: 10.1039/d0fd00112k |
0.54 |
|
| 2021 |
Fransson T, Brumboiu IE, Vidal ML, Norman P, Coriani S, Dreuw A. XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions. Journal of Chemical Theory and Computation. PMID 33544612 DOI: 10.1021/acs.jctc.0c01082 |
0.304 |
|
| 2021 |
Fedotov DA, Paul AC, Posocco P, Santoro F, Garavelli M, Koch H, Coriani S, Improta R. Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods. Journal of Chemical Theory and Computation. PMID 33529532 DOI: 10.1021/acs.jctc.0c01150 |
0.569 |
|
| 2020 |
Moitra T, Madsen D, Christiansen O, Coriani S. Vibrationally resolved coupled-cluster x-ray absorption spectra from vibrational configuration interaction anharmonic calculations. The Journal of Chemical Physics. 153: 234111. PMID 33353336 DOI: 10.1063/5.0030202 |
0.615 |
|
| 2020 |
Vidal ML, Epshtein M, Scutelnic V, Yang Z, Xue T, Leone SR, Krylov AI, Coriani S. Interplay of Open-Shell Spin-Coupling and Jahn-Teller Distortion in Benzene Radical Cation Probed by X-ray Spectroscopy. The Journal of Physical Chemistry. A. PMID 33103904 DOI: 10.1021/acs.jpca.0c08732 |
0.305 |
|
| 2020 |
Vidal ML, Pokhilko P, Krylov AI, Coriani S. Equation-of-Motion Coupled-Cluster Theory to Model L-edge X-Ray Absorption and Photoelectron Spectra. The Journal of Physical Chemistry Letters. PMID 32897075 DOI: 10.1021/Acs.Jpclett.0C02027 |
0.346 |
|
| 2020 |
Nanda KD, Vidal ML, Faber R, Coriani S, Krylov AI. Correction: How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation. Physical Chemistry Chemical Physics : Pccp. 22: 17749. PMID 32808952 DOI: 10.1039/d0cp90174a |
0.348 |
|
| 2020 |
Moitra T, Ponzi A, Koch H, Coriani S, Decleva P. Accurate Description of Photoionization Dynamical Parameters. The Journal of Physical Chemistry Letters. 5330-5337. PMID 32501713 DOI: 10.1021/acs.jpclett.0c01337 |
0.649 |
|
| 2020 |
Folkestad SD, Kjønstad EF, Myhre RH, Andersen JH, Balbi A, Coriani S, Giovannini T, Goletto L, Haugland TS, Hutcheson A, Høyvik IM, Moitra T, Paul AC, Scavino M, Skeidsvoll AS, et al. e 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. The Journal of Chemical Physics. 152: 184103. PMID 32414265 DOI: 10.1063/5.0004713 |
0.595 |
|
| 2020 |
Balasubramani SG, Chen GP, Coriani S, Diedenhofen M, Frank MS, Franzke YJ, Furche F, Grotjahn R, Harding ME, Hättig C, Hellweg A, Helmich-Paris B, Holzer C, Huniar U, Kaupp M, et al. TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107. PMID 32414256 DOI: 10.1063/5.0004635 |
0.716 |
|
| 2019 |
Cabral Tenorio BN, Chaer Nascimento MA, Rocha AB, Coriani S. Lanczos-based equation-of-motion coupled-cluster singles-and-doubles approach to the total photoionization cross section of valence excited states. The Journal of Chemical Physics. 151: 184106. PMID 31731870 DOI: 10.1063/1.5125125 |
0.313 |
|
| 2019 |
Vidal ML, Krylov AI, Coriani S. Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states. Physical Chemistry Chemical Physics : Pccp. PMID 31696165 DOI: 10.1039/C9Cp03695D |
0.317 |
|
| 2019 |
Faber R, Kjønstad EF, Koch H, Coriani S. Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges. The Journal of Chemical Physics. 151: 144107. PMID 31615219 DOI: 10.1063/1.5112164 |
0.572 |
|
| 2019 |
Nanda KD, Vidal ML, Faber R, Coriani S, Krylov AI. How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation. Physical Chemistry Chemical Physics : Pccp. PMID 31599295 DOI: 10.1039/C9Cp03688A |
0.369 |
|
| 2019 |
Myhre RH, Coriani S, Koch H. X-ray and UV Spectra of Glycine within Coupled Cluster Linear Response Theory. The Journal of Physical Chemistry. A. PMID 31549830 DOI: 10.1021/Acs.Jpca.9B06590 |
0.687 |
|
| 2019 |
Tenorio BNC, Moitra T, Nascimento MAC, Rocha AB, Coriani S. Molecular inner-shell photoabsorption/photoionization cross sections at core-valence-separated coupled cluster level: Theory and examples. The Journal of Chemical Physics. 150: 224104. PMID 31202254 DOI: 10.1063/1.5096777 |
0.305 |
|
| 2019 |
Štěpánek P, Coriani S. Spatial localization in nuclear spin-induced circular dichroism - a quadratic response function analysis. Physical Chemistry Chemical Physics : Pccp. PMID 31145406 DOI: 10.1039/c9cp01716j |
0.322 |
|
| 2019 |
Lopez Vidal M, Feng X, Epifanovsky E, Krylov AI, Coriani S. A new and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states. Journal of Chemical Theory and Computation. PMID 30964297 DOI: 10.1021/Acs.Jctc.9B00039 |
0.338 |
|
| 2019 |
Liu J, Matthews D, Coriani S, Cheng L. Benchmark calculations of K-edge ionization energies for first-row elements using scalar-relativistic core-valence-separated equation-of-motion coupled-cluster methods. Journal of Chemical Theory and Computation. PMID 30702889 DOI: 10.1021/acs.jctc.8b01160 |
0.348 |
|
| 2019 |
Costantini R, Faber R, Cossaro A, Floreano L, Verdini A, Hӓttig C, Morgante A, Coriani S, Dell’Angela M. Picosecond timescale tracking of pentacene triplet excitons with chemical sensitivity Communications Physics. 2. DOI: 10.1038/S42005-019-0157-1 |
0.671 |
|
| 2018 |
Karbalaei Khani S, Faber R, Santoro F, Coriani S, Hattig C. UV Absorption and Magnetic Circular Dichroism Spectra of Purine, Adenine, and Guanine: a Coupled Cluster Study in Vacuo and in Aqueous Solution. Journal of Chemical Theory and Computation. PMID 30495951 DOI: 10.1021/Acs.Jctc.8B00930 |
0.724 |
|
| 2018 |
Myhre RH, Wolf TJA, Cheng L, Nandi S, Coriani S, Gühr M, Koch H. A theoretical and experimental benchmark study of core-excited states in nitrogen. The Journal of Chemical Physics. 148: 064106. PMID 29448773 DOI: 10.1063/1.5011148 |
0.654 |
|
| 2017 |
Martinez-Fernandez L, Fahleson T, Norman P, Santoro F, Coriani S, Improta R. Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. PMID 28745752 DOI: 10.1039/c7pp00105c |
0.324 |
|
| 2017 |
Wolf TJA, Myhre RH, Cryan JP, Coriani S, Squibb RJ, Battistoni A, Berrah N, Bostedt C, Bucksbaum P, Coslovich G, Feifel R, Gaffney KJ, Grilj J, Martinez TJ, Miyabe S, et al. Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption. Nature Communications. 8: 29. PMID 28642477 DOI: 10.1038/S41467-017-00069-7 |
0.389 |
|
| 2016 |
Coriani S, Koch H. Erratum: "Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework" [J. Chem. Phys. 143, 181103 (2015)]. The Journal of Chemical Physics. 145: 149901. PMID 27782510 DOI: 10.1063/1.4964714 |
0.618 |
|
| 2016 |
Tenório BN, Nascimento MA, Coriani S, Rocha AB. Coupled cluster study of photoionization and photodetachment cross sections. Journal of Chemical Theory and Computation. PMID 27434262 DOI: 10.1021/Acs.Jctc.6B00524 |
0.41 |
|
| 2016 |
Fiedler B, Coriani S, Friedrich J. Molecular Dipole Moments within the Incremental Scheme using the Domain-Specific Basis-Set Approach. Journal of Chemical Theory and Computation. PMID 27300371 DOI: 10.1021/Acs.Jctc.6B00076 |
0.326 |
|
| 2016 |
Myhre RH, Coriani S, Koch H. Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory. Journal of Chemical Theory and Computation. PMID 27182829 DOI: 10.1021/Acs.Jctc.6B00216 |
0.685 |
|
| 2016 |
Coriani S, Pawłowski F, Olsen J, Jørgensen P. Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective. The Journal of Chemical Physics. 144: 024102. PMID 26772549 DOI: 10.1063/1.4939183 |
0.69 |
|
| 2016 |
Fransson T, Zhovtobriukh I, Coriani S, Wikfeldt KT, Norman P, Pettersson LG. Requirements of first-principles calculations of X-ray absorption spectra of liquid water. Physical Chemistry Chemical Physics : Pccp. 18: 566-83. PMID 26619162 DOI: 10.1039/c5cp03919c |
0.34 |
|
| 2016 |
Coriani S, Pawłowski F, Olsen J, Jørgensen P. Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective Journal of Chemical Physics. 144. DOI: 10.1063/1.4939183 |
0.578 |
|
| 2016 |
Holland D, Shaw D, Stener M, Decleva P, Coriani S. A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations Chemical Physics. 477: 96-104. DOI: 10.1016/J.Chemphys.2016.07.019 |
0.476 |
|
| 2015 |
Coriani S, Koch H. Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework. The Journal of Chemical Physics. 143: 181103. PMID 26567637 DOI: 10.1063/1.4935712 |
0.678 |
|
| 2015 |
Kamiński M, Cukras J, Pecul M, Rizzo A, Coriani S. A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption. Physical Chemistry Chemical Physics : Pccp. 17: 19079-86. PMID 26126575 DOI: 10.1039/C5Cp02590G |
0.382 |
|
| 2015 |
Cadène A, Fouché M, Rivère A, Battesti R, Coriani S, Rizzo A, Rizzo C. Circular and linear magnetic birefringences in xenon at λ = 1064 nm. The Journal of Chemical Physics. 142: 124313. PMID 25833585 DOI: 10.1063/1.4916049 |
0.313 |
|
| 2015 |
Fahleson T, Kauczor J, Norman P, Santoro F, Improta R, Coriani S. TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids. The Journal of Physical Chemistry. A. 119: 5476-89. PMID 25648759 DOI: 10.1021/Jp512468K |
0.39 |
|
| 2015 |
Coriani S, Stener M, Decleva P, Holland DMP, Potts AW, Karlsson L. A study of the valence shell electronic structure and photoionisation dynamics of s-triazine Chemical Physics. 450: 115-124. DOI: 10.1016/J.Chemphys.2015.02.003 |
0.431 |
|
| 2014 |
Santoro F, Improta R, Fahleson T, Kauczor J, Norman P, Coriani S. Relative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD Spectra. The Journal of Physical Chemistry Letters. 5: 1806-11. PMID 26273857 DOI: 10.1021/Jz500633T |
0.459 |
|
| 2014 |
List NH, Coriani S, Kongsted J, Christiansen O. Lanczos-driven coupled-cluster damped linear response theory for molecules in polarizable environments. The Journal of Chemical Physics. 141: 244107. PMID 25554133 DOI: 10.1063/1.4903981 |
0.668 |
|
| 2014 |
Cukras J, Decleva P, Coriani S. A coupled-cluster study of photodetachment cross sections of closed-shell anions. The Journal of Chemical Physics. 141: 174315. PMID 25381522 DOI: 10.1063/1.4900545 |
0.436 |
|
| 2014 |
Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, et al. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 4: 269-284. PMID 25309629 DOI: 10.1002/Wcms.1172 |
0.801 |
|
| 2014 |
List NH, Coriani S, Christiansen O, Kongsted J. Identifying the Hamiltonian structure in linear response theory. The Journal of Chemical Physics. 140: 224103. PMID 24929370 DOI: 10.1063/1.4881145 |
0.643 |
|
| 2014 |
Ponzi A, Angeli C, Cimiraglia R, Coriani S, Decleva P. Dynamical photoionization observables of the CS molecule: the role of electron correlation. The Journal of Chemical Physics. 140: 204304. PMID 24880277 DOI: 10.1063/1.4876495 |
0.426 |
|
| 2014 |
Vaara J, Rizzo A, Kauczor J, Norman P, Coriani S. Nuclear spin circular dichroism. The Journal of Chemical Physics. 140: 134103. PMID 24712776 DOI: 10.1063/1.4869849 |
0.35 |
|
| 2014 |
Sauer SPA, Haq IU, Sabin JR, Oddershede J, Christiansen O, Coriani S. Coupled cluster calculations of mean excitation energies of the noble gas atoms He, Ne and Ar and of the H 2 molecule Molecular Physics. 112: 751-761. DOI: 10.1080/00268976.2013.858192 |
0.676 |
|
| 2013 |
Kauczor J, Norman P, Christiansen O, Coriani S. Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory. The Journal of Chemical Physics. 139: 211102. PMID 24320357 DOI: 10.1063/1.4840275 |
0.637 |
|
| 2013 |
Fahleson T, Norman P, Coriani S, Rizzo A, Rikken GL. A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes. The Journal of Chemical Physics. 139: 194311. PMID 24320330 DOI: 10.1063/1.4830412 |
0.418 |
|
| 2013 |
Lin N, Forzato C, Berti F, Felluga F, Nitti P, Pitacco G, Coriani S. On the absolute configuration of chiral 1,4-dihydropyridazines synthesized by organocatalysed reactions. The Journal of Organic Chemistry. 78: 11670-9. PMID 24188001 DOI: 10.1021/Jo401343Y |
0.344 |
|
| 2013 |
Cukras J, Coriani S, Decleva P, Christiansen O, Norman P. Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra. The Journal of Chemical Physics. 139: 094103. PMID 24028098 DOI: 10.1063/1.4819126 |
0.644 |
|
| 2013 |
Rekkedal J, Coriani S, Iozzi MF, Teale AM, Helgaker T, Pedersen TB. Communication: Analytic gradients in the random-phase approximation. The Journal of Chemical Physics. 139: 081101. PMID 24006965 DOI: 10.1063/1.4819399 |
0.368 |
|
| 2013 |
Fransson T, Coriani S, Christiansen O, Norman P. Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory. The Journal of Chemical Physics. 138: 124311. PMID 23556727 DOI: 10.1063/1.4795835 |
0.691 |
|
| 2013 |
Holland DMP, Shaw DA, Coriani S, Stener M, Decleva P. A study of the valence shell electronic states of pyridazine by photoabsorption spectroscopy and time-dependent density functional theory calculations Journal of Physics B: Atomic, Molecular and Optical Physics. 46. DOI: 10.1088/0953-4075/46/17/175103 |
0.456 |
|
| 2013 |
Caputo MC, Coriani S, Pelloni S, Lazzeretti P. On the origin independence of the Verdet tensor† Molecular Physics. 111: 1405-1413. DOI: 10.1080/00268976.2013.793845 |
0.398 |
|
| 2013 |
Fahleson T, Kauczor J, Norman P, Coriani S. The magnetic circular dichroism spectrum of the C60 fullerene Molecular Physics. 111: 1401-1404. DOI: 10.1080/00268976.2013.779394 |
0.32 |
|
| 2012 |
Coriani S, Fransson T, Christiansen O, Norman P. Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory. Journal of Chemical Theory and Computation. 8: 1616-28. PMID 26593655 DOI: 10.1021/Ct200919E |
0.672 |
|
| 2012 |
Helgaker T, Coriani S, Jørgensen P, Kristensen K, Olsen J, Ruud K. Recent advances in wave function-based methods of molecular-property calculations. Chemical Reviews. 112: 543-631. PMID 22236047 DOI: 10.1021/Cr2002239 |
0.656 |
|
| 2012 |
Coriani S, Christiansen O, Fransson T, Norman P. Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules Physical Review A. 85. DOI: 10.1103/Physreva.85.022507 |
0.65 |
|
| 2012 |
Coriani S, Puzzarini C, Rizzo A. First-order properties and Buckingham birefringence of N2O and OCS – A computational (re)investigation Molecular Physics. 110: 2543-2555. DOI: 10.1080/00268976.2012.709284 |
0.378 |
|
| 2012 |
Kjaergaard T, Coriani S, Ruud K. Ab initio
calculation of magnetic circular dichroism Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 443-455. DOI: 10.1002/Wcms.1091 |
0.308 |
|
| 2011 |
Strømsheim MD, Kumar N, Coriani S, Sagvolden E, Teale AM, Helgaker T. Dispersion interactions in density-functional theory: an adiabatic-connection analysis. The Journal of Chemical Physics. 135: 194109. PMID 22112068 DOI: 10.1063/1.3660357 |
0.431 |
|
| 2011 |
Kjærgaard T, Kristensen K, Kauczor J, Jørgensen P, Coriani S, Thorvaldsen AJ. Comparison of standard and damped response formulations of magnetic circular dichroism. The Journal of Chemical Physics. 135: 024112. PMID 21766930 DOI: 10.1063/1.3607991 |
0.595 |
|
| 2011 |
Coriani S, Thorvaldsen AJ, Kristensen K, Jørgensen P. Variational response-function formulation of vibrational circular dichroism. Physical Chemistry Chemical Physics : Pccp. 13: 4224-9. PMID 21283895 DOI: 10.1039/C0Cp02230F |
0.541 |
|
| 2011 |
Klopper W, Teale AM, Coriani S, Pedersen TB, Helgaker T. Spin flipping in ring-coupled-cluster-doubles theory Chemical Physics Letters. 510: 147-153. DOI: 10.1016/J.Cplett.2011.04.101 |
0.311 |
|
| 2010 |
Teale AM, Coriani S, Helgaker T. Accurate calculation and modeling of the adiabatic connection in density functional theory. The Journal of Chemical Physics. 132: 164115. PMID 20441266 DOI: 10.1063/1.3380834 |
0.445 |
|
| 2010 |
Coriani S, Kjærgaard T, Jørgensen P, Ruud K, Huh J, Berger R. An atomic-orbital-based lagrangian approach for calculating geometric gradients of linear response properties Journal of Chemical Theory and Computation. 6: 1028-1047. DOI: 10.1021/Ct900506C |
0.633 |
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| 2009 |
Kjærgaard T, Jørgensen P, Thorvaldsen AJ, Sałek P, Coriani S. Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories. Journal of Chemical Theory and Computation. 5: 1997-2020. PMID 26613143 DOI: 10.1021/Ct9001625 |
0.615 |
|
| 2009 |
Friedrich J, Coriani S, Helgaker T, Dolg M. Implementation of the incremental scheme for one-electron first-order properties in coupled-cluster theory. The Journal of Chemical Physics. 131: 154102. PMID 20568842 DOI: 10.1063/1.3243864 |
0.433 |
|
| 2009 |
Thorvaldsen AJ, Ferrighi L, Ruud K, Agren H, Coriani S, Jørgensen P. Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS). Physical Chemistry Chemical Physics : Pccp. 11: 2293-304. PMID 19305904 DOI: 10.1039/B812045E |
0.597 |
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| 2009 |
Teale AM, Coriani S, Helgaker T. The calculation of adiabatic-connection curves from full configuration-interaction densities: two-electron systems. The Journal of Chemical Physics. 130: 104111. PMID 19292527 DOI: 10.1063/1.3082285 |
0.423 |
|
| 2009 |
Shcherbin D, Thorvaldsen AJ, Ruud K, Coriani S, Rizzo A. Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence. Physical Chemistry Chemical Physics : Pccp. 11: 816-25. PMID 19290328 DOI: 10.1039/B815752A |
0.448 |
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| 2008 |
Thorvaldsen AJ, Ruud K, Kristensen K, Jørgensen P, Coriani S. A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets. The Journal of Chemical Physics. 129: 214108. PMID 19063545 DOI: 10.1063/1.2996351 |
0.616 |
|
| 2008 |
Thorvaldsen AJ, Ruud K, Rizzo A, Coriani S. Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals. The Journal of Chemical Physics. 129: 164110. PMID 19045250 DOI: 10.1063/1.2993325 |
0.429 |
|
| 2008 |
Solheim H, Ruud K, Coriani S, Norman P. The A and B terms of magnetic circular dichroism revisited. The Journal of Physical Chemistry. A. 112: 9615-8. PMID 18767781 DOI: 10.1021/Jp803135X |
0.325 |
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| 2008 |
Kjaergaard T, Jørgensen P, Olsen J, Coriani S, Helgaker T. Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling. The Journal of Chemical Physics. 129: 054106. PMID 18698887 DOI: 10.1063/1.2961039 |
0.706 |
|
| 2008 |
Solheim H, Ruud K, Coriani S, Norman P. Complex polarization propagator calculations of magnetic circular dichroism spectra. The Journal of Chemical Physics. 128: 094103. PMID 18331083 DOI: 10.1063/1.2834924 |
0.432 |
|
| 2008 |
Rizzo A, Cappelli C, Jansík B, Jonsson D, Sałek P, Coriani S, Ågren H, Wilson DJD, Helgaker T, Junquera–Hernández JM, Merás AMJSd, Sánchez-Marín J. Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” [J. Chem. Phys. 121, 8814 (2004)]; “Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase” [J. Chem. Phys. 122, 234314 (2005)]; and “A computational study of some electric and magnetic properties of gaseous BF3 and BCl3” [J. Chem. Phys. 123, 114307 (2005)] Journal of Chemical Physics. 129: 39901. DOI: 10.1063/1.2946699 |
0.352 |
|
| 2008 |
Solheim H, Frediani L, Ruud K, Coriani S. An IEF-PCM study of solvent effects on the Faraday B term of MCD Theoretical Chemistry Accounts. 119: 231-244. DOI: 10.1007/S00214-006-0235-9 |
0.364 |
|
| 2007 |
Kjaergaard T, Jansík B, Jørgensen P, Coriani S, Michl J. Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals. The Journal of Physical Chemistry. A. 111: 11278-86. PMID 17518457 DOI: 10.1021/Jp071726L |
0.637 |
|
| 2007 |
Coriani S, Høst S, Jansík B, Thøgersen L, Olsen J, Jørgensen P, Reine S, Pawłowski F, Helgaker T, Sałek P. Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory. The Journal of Chemical Physics. 126: 154108. PMID 17461615 DOI: 10.1063/1.2715568 |
0.728 |
|
| 2007 |
Sałek P, Høst S, Thøgersen L, Jørgensen P, Manninen P, Olsen J, Jansík B, Reine S, Pawłowski F, Tellgren E, Helgaker T, Coriani S. Linear-scaling implementation of molecular electronic self-consistent field theory. The Journal of Chemical Physics. 126: 114110. PMID 17381199 DOI: 10.1063/1.2464111 |
0.687 |
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| 2007 |
Marchesan D, Coriani S, Forzato C, Nitti P, Pitacco G, Ruud K. Optical rotation calculation of a highly flexible molecule: the case of paraconic acid. The Journal of Physical Chemistry. A. 109: 1449-53. PMID 16833463 DOI: 10.1021/Jp047108B |
0.449 |
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| 2007 |
Coriani S, Baranowska A, Ferrighi L, Forzato C, Marchesan D, Nitti P, Pitacco G, Rizzo A, Ruud K. Solvent effects on the conformational distribution and optical rotation of gamma-methyl paraconic acids and esters. Chirality. 18: 357-69. PMID 16557525 DOI: 10.1002/Chir.20261 |
0.31 |
|
| 2007 |
Buckingham AD, Coriani S, Rizzo A. Investigation of electric-field-gradient-induced birefringence in H 2 and D2 Theoretical Chemistry Accounts. 117: 969-977. DOI: 10.1007/S00214-007-0278-6 |
0.443 |
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| 2006 |
Jansík B, Rizzo A, Frediani L, Ruud K, Coriani S. Combined density functional/polarizable continuum model study of magnetochiral birefringence: can theory and experiment be brought to agreement? The Journal of Chemical Physics. 125: 234105. PMID 17190545 DOI: 10.1063/1.2404661 |
0.454 |
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| 2006 |
Baranowska A, Rizzo A, Jansík B, Coriani S. Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation. The Journal of Chemical Physics. 125: 054107. PMID 16942203 DOI: 10.1063/1.2222349 |
0.366 |
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| 2006 |
Rizzo A, Puzzarini C, Coriani S, Gauss J. The nuclear-spin-rotation constants of HCY, HSiY, and SiY(2) (Y=F, Cl): an ab initio study. The Journal of Chemical Physics. 124: 64302. PMID 16483202 DOI: 10.1063/1.2165177 |
0.416 |
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| 2006 |
Coriani S, Haaland A, Helgaker T, Jørgensen P. The equilibrium structure of ferrocene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 245-9. PMID 16404766 DOI: 10.1002/Cphc.200500339 |
0.616 |
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| 2006 |
García Cuesta I, Coriani S, Lazzeretti P, Sánchez de Merás AM. From pentalene to dicyclopenta[b,g]naphthalene, or the change towards delocalized structures. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 240-4. PMID 16317794 DOI: 10.1002/Cphc.200500327 |
0.349 |
|
| 2006 |
Baranowska A, Rizzo A, Coriani S. Optically induced circular and axial birefringences in achiral fluids: anab initiostudy of the optical Faraday effect Molecular Physics. 104: 2173-2192. DOI: 10.1080/00268970600659644 |
0.398 |
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| 2006 |
Rizzo A, Coriani S, Marchesan D, Cacheiro JL, Fernández B, Hättig C. Density dependence of electric properties of binary mixtures of inert gases Molecular Physics. 104: 305-318. DOI: 10.1080/00268970500282133 |
0.707 |
|
| 2005 |
Ferrighi L, Marchesan D, Ruud K, Frediani L, Coriani S. Gauge-origin-independent magnetizabilities of solvated molecules using the polarizable continuum model. The Journal of Chemical Physics. 123: 204104. PMID 16351237 DOI: 10.1063/1.2121587 |
0.417 |
|
| 2005 |
Coriani S, Marchesan D, Gauss J, Hättig C, Helgaker T, Jørgensen P. The accuracy of ab initio molecular geometries for systems containing second-row atoms. The Journal of Chemical Physics. 123: 184107. PMID 16292899 DOI: 10.1063/1.2104387 |
0.791 |
|
| 2005 |
Rizzo A, Cappelli C, Jansík B, Jonsson D, Sałek P, Coriani S, Wilson DJ, Helgaker T, Agren H. Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase. The Journal of Chemical Physics. 122: 234314. PMID 16008448 DOI: 10.1063/1.1935513 |
0.429 |
|
| 2005 |
Pecul M, Marchesan D, Ruud K, Coriani S. Polarizable continuum model study of solvent effects on electronic circular dichroism parameters. The Journal of Chemical Physics. 122: 024106. PMID 15638571 DOI: 10.1063/1.1829046 |
0.445 |
|
| 2005 |
Puzzarini C, Coriani S, Rizzo A, Gauss J. Critical analysis of the spin-rotation constants of CF2 and CCl2: A theoretical investigation Chemical Physics Letters. 409: 118-123. DOI: 10.1016/J.Cplett.2005.04.099 |
0.418 |
|
| 2004 |
Rizzo A, Cappelli C, Jansík B, Jonsson D, Sałek P, Coriani S, Agren H. Density-functional and electron correlated study of five linear birefringences--Kerr, Cotton-Mouton, Buckingham, Jones, and magnetoelectric--in gaseous benzene. The Journal of Chemical Physics. 121: 8814-30. PMID 15527345 DOI: 10.1063/1.1802771 |
0.492 |
|
| 2004 |
Coriani S, Helgaker T, Jørgensen P, Klopper W. A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction. The Journal of Chemical Physics. 121: 6591-8. PMID 15473713 DOI: 10.1063/1.1788634 |
0.63 |
|
| 2004 |
Cappelli C, Ekström U, Rizzo A, Coriani S. The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2 Journal of Computational Methods in Sciences and Engineering. 4: 365-380. DOI: 10.3233/Jcm-2004-4313 |
0.439 |
|
| 2004 |
Klopper W, Coriani S, Helgaker T, Jørgensen P. First-order relativistic corrections to response properties: the hyperpolarizability of the Ne atom Journal of Physics B: Atomic, Molecular and Optical Physics. 37: 3753-3763. DOI: 10.1088/0953-4075/37/18/015 |
0.638 |
|
| 2004 |
López Cacheiro J, Fernández B, Marchesan D, Coriani S, Hättig C, Rizzo A. Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon Molecular Physics. 102: 101-110. DOI: 10.1080/00268970410001668606 |
0.763 |
|
| 2003 |
MARCHESAN D, CORIANI S, RIZZO A. Density dependence of the electric-field-gradient induced birefringence of the helium, neon and argon gases Molecular Physics. 101: 1851-1865. DOI: 10.1080/0026897031000108122 |
0.508 |
|
| 2003 |
Rizzo A, Coriani S. Jones birefringence in gases:Ab initioelectron correlated results for atoms and linear molecules The Journal of Chemical Physics. 119: 11064-11079. DOI: 10.1063/1.1622927 |
0.465 |
|
| 2003 |
Hald K, Halkier A, Jørgensen P, Coriani S, Hättig C, Helgaker T. Publisher’s Note: “A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients” [J. Chem. Phys. 118, 2985 (2003)] The Journal of Chemical Physics. 118: 11335-11335. DOI: 10.1063/1.1580103 |
0.719 |
|
| 2003 |
Coriani S, Halkier A, Jonsson D, Gauss J, Rizzo A, Christiansen O. On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS Journal of Chemical Physics. 118: 7329-7339. DOI: 10.1063/1.1562198 |
0.647 |
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| 2003 |
Hald K, Halkier A, Jørgensen P, Coriani S, Hättig C, Helgaker T. A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients The Journal of Chemical Physics. 118: 2985-2998. DOI: 10.1063/1.1531106 |
0.738 |
|
| 2002 |
Hald K, Halkier A, Jørgensen P, Coriani S. Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties The Journal of Chemical Physics. 117: 9983-9990. DOI: 10.1063/1.1517991 |
0.662 |
|
| 2002 |
Coriani S, Pecul M, Rizzo A, Jørgensen P, Jaszuński M. Ab initiostudy of magnetochiral birefringence The Journal of Chemical Physics. 117: 6417-6428. DOI: 10.1063/1.1504706 |
0.593 |
|
| 2002 |
Rizzo A, Coriani S, Fernández B, Christiansen O. A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl Physical Chemistry Chemical Physics. 4: 2884-2890. DOI: 10.1039/B109689C |
0.682 |
|
| 2002 |
Pecul M, Coriani S. The effect of triple excitations in coupled cluster calculations of Raman scattering cross-sections Chemical Physics Letters. 355: 327-338. DOI: 10.1016/S0009-2614(02)00270-1 |
0.424 |
|
| 2001 |
Jonsson D, Norman P, Ågren H, Rizzo A, Coriani S, Ruud K. The Cotton–Mouton effect of gaseous CO2, N2O, OCS, and CS2. A cubic response multiconfigurational self-consistent field study The Journal of Chemical Physics. 114: 8372-8381. DOI: 10.1063/1.1364678 |
0.318 |
|
| 2000 |
Coriani S, Halkier A, Jørgensen P, Gauss J, Christiansen O, Rizzo A. Coupled cluster investigation of Sternheimer shieldings and electric field gradient polarizabilities Journal of Chemical Physics. 113: 1688-1697. DOI: 10.1063/1.481970 |
0.71 |
|
| 2000 |
Coriani S, Hättig C, Jørgensen P, Helgaker T. Gauge-origin independent magneto-optical activity within coupled cluster response theory The Journal of Chemical Physics. 113: 3561-3572. DOI: 10.1063/1.1287833 |
0.78 |
|
| 2000 |
Rizzo A, Coriani S, Halkier A, Hättig C. Ab initio study of the electric-field-gradient-induced birefringence of a polar molecule: CO The Journal of Chemical Physics. 113: 3077-3087. DOI: 10.1063/1.1287057 |
0.748 |
|
| 2000 |
Coriani S, Jørgensen P, Christiansen O, Gauss J. Triple excitation effects in coupled cluster calculations of Verdet constants Chemical Physics Letters. 330: 463-470. DOI: 10.1016/S0009-2614(00)01104-0 |
0.624 |
|
| 2000 |
Coriani S, Jørgensen P, Christiansen O, Gauss J. Triple excitation effects in coupled cluster calculations of Verdet constants Chemical Physics Letters. 330: 463-470. DOI: 10.1016/S0009-2614(00)01104-0 |
0.595 |
|
| 2000 |
Coriani S, Halkier A, Rizzo A, Ruud K. On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2 Chemical Physics Letters. 326: 269-276. DOI: 10.1016/S0009-2614(00)00793-4 |
0.345 |
|
| 1999 |
Coriani S, Hättig C, Rizzo A. The electric-field-gradient-induced birefringence of Helium, Neon, Argon, and SF6 The Journal of Chemical Physics. 111: 7828-7836. DOI: 10.1063/1.480118 |
0.702 |
|
| 1999 |
Halkier A, Coriani S. On the molecular electric quadrupole moment of C2H2 Chemical Physics Letters. 303: 408-412. DOI: 10.1016/S0009-2614(99)00269-9 |
0.306 |
|
| 1999 |
Coriani S, Jørgensen P, Rizzo A, Ruud K, Olsen J. Ab initio determinations of magnetic circular dichroism Chemical Physics Letters. 300: 61-68. DOI: 10.1016/S0009-2614(98)01315-3 |
0.674 |
|
| 1998 |
Hättig C, Christiansen O, Coriani S, Jo/rgensen P. Static and frequency-dependent polarizabilities of excited singlet states using coupled cluster response theory The Journal of Chemical Physics. 109: 9237-9243. DOI: 10.1063/1.477582 |
0.782 |
|
| 1998 |
Coriani S, Hättig C, Jo/rgensen P, Rizzo A, Ruud K. Coupled cluster investigation of the electric-field-gradient-induced birefringence of H2, N2, C2H2, and CH4 The Journal of Chemical Physics. 109: 7176-7184. DOI: 10.1063/1.477399 |
0.716 |
|
| 1998 |
Ruud K, Ågren H, Dahle P, Helgaker T, Rizzo A, Coriani S, Koch H, Sylvester-Hvid KO, Mikkelsen KV. The Cotton–Mouton effect of liquid water. Part II: The semi-continuum model The Journal of Chemical Physics. 108: 599-603. DOI: 10.1063/1.475422 |
0.614 |
|
| 1998 |
Halkier A, Coriani S, Jørgensen P. The molecular electric quadrupole moment of N2 Chemical Physics Letters. 294: 292-296. DOI: 10.1016/S0009-2614(98)00878-1 |
0.529 |
|
| 1998 |
Coriani S, Hättig C, Jørgensen P, Halkier A, Rizzo A. Erratum to: “Coupled cluster calculations of Verdet constants” [Chem. Phys. Lett. 281 (1997) 445]1PII of the original article: S0009-2614(98)01286-41 Chemical Physics Letters. 293: 324. DOI: 10.1016/S0009-2614(98)00752-0 |
0.758 |
|
| 1998 |
Fernández B, Coriani S, Rizzo A. MCSCF polarizability and hyperpolarizabilities of HCl and HBr Chemical Physics Letters. 288: 677-688. DOI: 10.1016/S0009-2614(98)00355-8 |
0.363 |
|
| 1998 |
Coriani S, Jaszunski M, Rizzo A, Ruud K. MCSCF nuclear magnetic shieldings and spin-rotation constants of 17O in 16O17O16O and 17O16O16O Chemical Physics Letters. 287: 677-681. DOI: 10.1016/S0009-2614(98)00222-X |
0.3 |
|
| 1997 |
Ruud K, Helgaker T, Rizzo A, Coriani S, Mikkelsen KV. The Cotton-Mouton effect of liquid water. Part I: The dielectric continuum model The Journal of Chemical Physics. 107: 894-901. DOI: 10.1063/1.474387 |
0.388 |
|
| 1997 |
Coriani S, Hättig C, Jørgensen P, Halkier A, Rizzo A. Coupled cluster calculations of Verdet constants Chemical Physics Letters. 281: 445-451. DOI: 10.1016/S0009-2614(97)01286-4 |
0.779 |
|
| 1996 |
CORIANI S, RIZZO A, RUUD K, HELGAKER T. MCSCF calculations of hypermagnetizabilities and nuclear shielding polarizabilities of CO and CH4 Molecular Physics. 88: 931-947. DOI: 10.1080/00268979609484483 |
0.388 |
|
| 1994 |
Coriani S, Lazzeretti P, Malagoli M, Zanasi R. On CHF calculations of second-order magnetic properties using the method of continuous transformation of origin of the current density Theoretica Chimica Acta. 89: 181-192. DOI: 10.1007/Bf01132801 |
0.353 |
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