X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (141) 141
Patent (44) 44
Publication (12) 12
Conference Proceeding (3) 3
Dissertation (2) 2
Book / eBook (1) 1
Book Chapter (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
humans (37) 37
natural sciences (32) 32
naturvetenskap (32) 32
medicin och hälsovetenskap (31) 31
medical and health sciences (30) 30
human necessities (28) 28
physics, atomic, molecular & chemical (26) 26
female (25) 25
clinical medicine (23) 23
index medicus (23) 23
klinisk medicin (23) 23
male (23) 23
apparatus for making beverages (21) 21
coffee mills (21) 21
domestic articles or appliances (21) 21
furniture (21) 21
kitchen equipment (21) 21
spice mills (21) 21
suction cleaners in general (21) 21
physics (19) 19
animals (16) 16
performing operations (16) 16
transporting (16) 16
chemistry, physical (15) 15
chemical sciences (14) 14
basic medicine (13) 13
kemi (13) 13
medicinska och farmaceutiska grundvetenskaper (13) 13
calculating (12) 12
computing (12) 12
counting (12) 12
data processing systems or methods, specially adapted foradministrative, commercial, financial, managerial, supervisoryor forecasting purposes (12) 12
middle aged (12) 12
systems or methods specially adapted for administrative,commercial, financial, managerial, supervisory or forecastingpurposes, not otherwise provided for (12) 12
adult (11) 11
mutation (11) 11
teoretisk kemi (11) 11
theoretical chemistry (11) 11
biochemistry & molecular biology (10) 10
excited states (10) 10
mathematical analysis (10) 10
cutting (9) 9
details common to machines for perforating, punching,cutting-out, stamping-out or severing (9) 9
farmakologi och toxikologi (9) 9
hand cutting tools (9) 9
läkemedelskemi (9) 9
medicinal chemistry (9) 9
pharmacology and toxicology (9) 9
rats (9) 9
severing (9) 9
aged (8) 8
approximation (8) 8
density-functional theory (8) 8
expression (8) 8
rats, sprague-dawley (8) 8
basis-sets (7) 7
density functional method (7) 7
density functional theory (7) 7
disease (7) 7
ophthalmology (7) 7
polarization (7) 7
adolescent (6) 6
atomic and molecular physics (6) 6
crushing, pulverising, or disintegrating (6) 6
crushing, pulverising, or disintegrating in general (6) 6
exchange (6) 6
identification (6) 6
mice (6) 6
milling grain (6) 6
molecules (6) 6
preparatory treatment of grain for milling (6) 6
proteins (6) 6
sweden (6) 6
biologi (5) 5
biological sciences (5) 5
cancer (5) 5
cardiac and cardiovascular systems (5) 5
cell line, tumor (5) 5
density (5) 5
excitation-energies (5) 5
fysik (5) 5
heat stress (5) 5
kardiologi (5) 5
oftalmologi (5) 5
optimization (5) 5
organic compounds (5) 5
pedigree (5) 5
phenotype (5) 5
physical sciences (5) 5
plasma (5) 5
polymerase chain reaction (5) 5
tensors (5) 5
amino acid substitution (4) 4
benzene (4) 4
biochemistry and molecular biology (4) 4
biokemi och molekylärbiologi (4) 4
biomarkers (4) 4
care and treatment (4) 4
cathepsin-b (4) 4
cells (4) 4
more...
Library Location Library Location
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


by Aidas, Kestutis and Angeli, Celestino and Bak, Keld L and Bakken, Vebjørn and Bast, Radovan and Boman, Linus and Christiansen, Ove and Cimiraglia, Renzo and Coriani, Sonia and Dahle, Pål and Dalskov, Erik K and Ekström, Ulf and Enevoldsen, Thomas and Eriksen, Janus J and Ettenhuber, Patrick and Fernández, Berta and Ferrighi, Lara and Fliegl, Heike and Frediani, Luca and Hald, Kasper and Halkier, Asger and Hättig, Christof and Heiberg, Hanne and Helgaker, Trygve and Hennum, Alf Christian and Hettema, Hinne and Hjertenæs, Eirik and Høst, Stinne and Høyvik, Ida‐Marie and Iozzi, Maria Francesca and Jansík, Branislav and Jensen, Hans Jørgen Aa and Jonsson, Dan and Jørgensen, Poul and Kauczor, Joanna and Kirpekar, Sheela and Kjærgaard, Thomas and Klopper, Wim and Knecht, Stefan and Kobayashi, Rika and Koch, Henrik and Kongsted, Jacob and Krapp, Andreas and Kristensen, Kasper and Ligabue, Andrea and Lutnæs, Ola B and Melo, Juan I and Mikkelsen, Kurt V and Myhre, Rolf H and Neiss, Christian and Nielsen, Christian B and Norman, Patrick and Olsen, Jeppe and Olsen, Jógvan Magnus H and Osted, Anders and Packer, Martin J and Pawlowski, Filip and Pedersen, Thomas B and Provasi, Patricio F and Reine, Simen and Rinkevicius, Zilvinas and Ruden, Torgeir A and Ruud, Kenneth and Rybkin, Vladimir V and Sałek, Pawel and Samson, Claire C. M and de Merás, Alfredo Sánchez and Saue, Trond and Sauer, Stephan P. A and Schimmelpfennig, Bernd and Sneskov, Kristian and Steindal, Arnfinn H and Sylvester‐Hvid, Kristian O and Taylor, Peter R and Teale, Andrew M and Tellgren, Erik I and Tew, David P and Thorvaldsen, Andreas J and Thøgersen, Lea and Vahtras, Olav and Watson, Mark A and Wilson, David J. D and Ziolkowski, Marcin and Ågren, Hans and Centra and Teoretisk kemi och biologi and Skolan för bioteknologi (BIO) and KTH and SeRC - Swedish e-Science Research Centre
Wiley Interdisciplinary Reviews: Computational Molecular Science, ISSN 1759-0876, 05/2014, Volume 4, Issue 3, pp. 269 - 284
Dalton is a powerful general‐purpose program system for the study of molecular electronic structure at the Hartree–Fock, Kohn–Sham, multiconfigurational... 
RESPONSE THEORY CALCULATIONS | NATURAL CIRCULAR-DICHROISM | LINEAR-RESPONSE | SELF-CONSISTENT-FIELD | COUPLED-CLUSTER SINGLES | POLARIZABLE CONTINUUM MODEL | EXCITATION-ENERGIES | PLESSET PERTURBATION-THEORY | AB-INITIO | MATHEMATICAL & COMPUTATIONAL BIOLOGY | DENSITY-FUNCTIONAL THEORY | CHEMISTRY, MULTIDISCIPLINARY | Molecular structure | Quantum chemistry | Magnetic resonance | Molecular dynamics | Properties | Environmental effects | Work platforms | UNIX (operating system) | Mechanics (physics) | Molecules | Electronic structure | Molecular modelling | Dynamics | Optical activity | Mechanics | Scaling | Mathematical models | Theoretical chemistry, quantum chemistry: 444 | VDP | Chemistry: 440 | Teoretisk kjemi, kvantekjemi: 444 | Matematikk og Naturvitenskap: 400 | Mathematics and natural science: 400 | Kjemi: 440 | or physical chemistry | Chemical Sciences | Theoretical and | Software Focus | Data- och informationsvetenskap | Bioinformatik (beräkningsbiologi) | Frequency-Dependent Polarizabilities | Response Theory Calculations | Computer and Information Sciences | Ab-Initio Calculations | Plesset Perturbation-Theory | Coupled-Cluster Singles | Self-Consistent-Field | Naturvetenskap | Theoretical Chemistry | Kemi | London Atomic Orbitals | Density-Functional Theory | Natural Sciences | Teoretisk kemi | Polarizable Continuum Model | Bioinformatics (Computational Biology) | Natural Circular-Dichroism
Journal Article
Journal Article
Journal Article
Journal of Biological Chemistry, ISSN 0021-9258, 06/2013, Volume 288, Issue 23, pp. 17019 - 17029
Journal Article
The Journal of Allergy and Clinical Immunology, ISSN 0091-6749, 08/2018, Volume 142, Issue 2, pp. 510 - 516.e6
Polyunsaturated fatty acids (PUFAs) are hypothesized to modulate the risk of allergic disease. However, evidence from previous studies is inconclusive, and... 
Epidemiology study | Milieu | Adolescent | prospective studies | fatty acid | allergy | asthma | rhinitis | Children | plasma | Stockholm | ECZEMA | SYMPTOMS | SCHOOL-CHILDREN | IMMUNOLOGY | DIETARY-INTAKE | CHILDHOOD ASTHMA RISK | HEALTH | ATOPY | SEAFOOD INTAKE | BLOOD | Asthma - diagnosis | Prevalence | Prognosis | Prospective Studies | Fatty Acids, Omega-6 - blood | Humans | Immunoglobulin E - metabolism | Male | Risk | Biomarkers - blood | Sweden - epidemiology | Incidence | Hypersensitivity - diagnosis | Fatty Acids, Omega-3 - blood | Female | Hypersensitivity - epidemiology | Child | Asthma - epidemiology | Cohort Studies | Allergy | Unsaturated fatty acids | Immunoglobulin E | Lipids | Allergic reaction | Epidemiology | Essential fatty acids | Plasma | Disease | Rhinitis | Polyunsaturated fatty acids | Chains | Phospholipids | Arachidonic acid | Docosahexaenoic acid | Child development | Allergic rhinitis | Questionnaires | Remission | Population | Age | Phenotypes | Statistical analysis | Hypersensitivity | Health risks | Risk reduction | Inflammation | Metabolism | Fatty acids | Disease control | Linoleic acid | Asthma | Studies | Linolenic acid | Biomarkers | Eicosapentaenoic acid | Medical and Health Sciences | Medicin och hälsovetenskap | Klinisk medicin | Clinical Medicine | Lungmedicin och allergi | Respiratory Medicine and Allergy
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 05/2014, Volume 140, Issue 18, p. 18A518
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 09/2015, Volume 11, Issue 9, pp. 4169 - 4181
We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London... 
SHIELDING CONSTANTS | HYDROGEN | APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION-ENERGY | CHEMISTRY, PHYSICAL | SYSTEMS | BASIS-SETS | KOHN-SHAM ORBITALS | Orbitals | Approximation | Functionals | Mathematical analysis | Kinetic energy | Current density | Density | Magnetic properties
Journal Article
Molecular Physics, ISSN 0026-8976, 07/2013, Volume 111, Issue 9-11, pp. 1295 - 1302
Exchange-correlation density functionals at the meta-generalised gradient approximation level typically use the Kohn-Sham orbitals as an ingredient to create... 
current density functional theory | meta-generalised gradient approximation | DFT | isoorbital indicators | meta-GGA | EXCHANGE-ENERGY | ACCURATE | APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | Exchange | Orbitals | Images | Kinetic energy | Gages | Current density | Density | Indicators
Journal Article
The New England Journal of Medicine, ISSN 0028-4793, 09/2017, Volume 377, Issue 13, pp. 1240 - 1249
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2014, Volume 140, Issue 3, p. 034103
Journal Article
Journal of Biological Chemistry, ISSN 0021-9258, 2017, Volume 292, Issue 35, pp. 14413 - 14424
The ratio between proteases and their inhibitors is unbalanced in cancer. The cysteine protease inhibitor cystatin C is internalized by some cancer cells,... 
TARGET | CLONING | BIOCHEMISTRY & MOLECULAR BIOLOGY | TUMOR-SUPPRESSOR GENE | CYSTEINE PROTEINASE-INHIBITORS | PROLIFERATION | IDENTIFICATION | EXPRESSION | PROGRESSION | CATHEPSIN-B | Cystatin M - genetics | Cystatins - secretion | Cysteine Endopeptidases - chemistry | Biomarkers, Tumor - secretion | Absorption, Physiological | Cathepsin B - genetics | Cystatin M - metabolism | Humans | Gene Expression Regulation, Neoplastic | Neoplasm Proteins - antagonists & inhibitors | Neoplasm Proteins - metabolism | Cysteine Endopeptidases - metabolism | Neoplasm Proteins - secretion | Neoplasm Invasiveness - pathology | Proteolysis | Cystatin C - metabolism | Biomarkers, Tumor - metabolism | Neoplasm Proteins - genetics | Melanoma - metabolism | Recombinant Proteins - metabolism | Fluorescent Dyes - chemistry | Cystatin C - secretion | Recombinant Proteins - secretion | Cathepsin B - metabolism | Melanoma - pathology | Cystatins - metabolism | Protein Transport | Melanoma - secretion | Cystatin M - secretion | Cystatins - genetics | Cysteine Endopeptidases - genetics | Cell Line, Tumor | Biomarkers, Tumor - genetics | Cystatin C - genetics | Kinetics | Mutation | Amino Acid Substitution | Cell Movement | cysteine protease | enzyme inhibitor | cathepsin B (CTSB) | melanoma | cancer | cystatin | legumain | Enzymology | Basic Medicine | Clinical Medicine | Medical and Health Sciences | Medicin och hälsovetenskap | Medicinska och farmaceutiska grundvetenskaper | Cell and Molecular Biology | Klinisk medicin | Cancer and Oncology | Cell- och molekylärbiologi | Cancer och onkologi
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 08/2014, Volume 141, Issue 6, p. 064108
In this paper, we modify quasiclassical harmonic sampling of microcanonical ensembles of trajectories by using the curvilinear internal coordinates. The... 
DENSITY | OSCILLATORS | EQUILIBRIUM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GEOMETRY OPTIMIZATION | MOLECULAR GEOMETRIES | DERIVATIVES | Potential energy | Trajectories | Approximation | Sampling | Mathematical analysis
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 07/2010, Volume 6, Issue 7, pp. 1971 - 1980
We demonstrate how the functional derivatives appearing in perturbative time-dependent density functional theory can be calculated using automatic... 
Quantum Electronic Structure | EXCITATION-ENERGIES | CONSTANTS | APPROXIMATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | IMPLEMENTATION | CHEMISTRY, PHYSICAL | DYNAMIC POLARIZABILITIES | EXCITED-STATES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 03/2016, Volume 18, Issue 11, pp. 7728 - 7736
We report a combined computational and experimental study to investigate the UV/vis spectra of 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl) pyridine (BTP) ligands... 
POLARIZABILITIES | EXCITATION-ENERGIES | KOHN-SHAM EQUATIONS | DONOR LIGANDS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SYSTEMS | BASIS-SETS | MODEL | DENSITY-FUNCTIONAL THEORY | CONSTRAINED ELECTRON-DENSITY | CHARGE-DENSITIES | Quantum chemistry | Computation | Mathematical analysis | Molecular dynamics | Ligands | Mathematical models | Spectra | Electronic spectra
Journal Article